4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzenecarbonitrile

Systemtic Name: 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzenecarbonitrile Openeye Name: 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzonitrile CAS Name: 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzonitrile IUPAC Name: 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzonitrile Traditional Name: 4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)benzonitrile Formula: C45H29N5 MolecularWeight: 639.74526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=CC=C8)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C45H29N5/c46-28-29-16-18-33(19-17-29)45-40-26-24-38(49-40)43(31-12-6-2-7-13-31)36-22-20-34(47-36)42(30-10-4-1-5-11-30)35-21-23-37(48-35)44(32-14-8-3-9-15-32)39-25-27-41(45)50-39/h1-27,47-48H