5-(2,6-ditert-butylpyran-4-ylidene)-2-phenyl-3-(triphenylmethyl)pyrrol-1-ium tetrafluoroborate

Systemtic Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2-phenyl-3-(triphenylmethyl)pyrrol-1-ium tetrafluoroborate Openeye Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2-phenyl-3-trityl-pyrrol-1-ium tetrafluoroborate CAS Name: 5-(2,6-ditert-butyl-4-pyranylidene)-2-phenyl-3-(triphenylmethyl)pyrrol-1-ium tetrafluoroborate IUPAC Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2-phenyl-3-tritylpyrrol-1-ium tetrafluoroborate Traditional Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2-phenyl-3-trityl-pyrrol-1-ium tetrafluoroborate Formula: C42H42BF4NO MolecularWeight: 663.593593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C=C(C(=[NH+]2)C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=C(O1)C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C=C(C(=[NH+]2)C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=C(O1)C(C)(C)C

InChI

InChI=1S/C42H41NO.BF4/c1-40(2,3)37-27-31(28-38(44-37)41(4,5)6)36-29-35(39(43-36)30-19-11-7-12-20-30)42(32-21-13-8-14-22-32,33-23-15-9-16-24-33)34-25-17-10-18-26-34;2-1(3,4)5/h7-29H,1-6H3;/q;-1/p+1