5,10,20-tricyclohexyl-15-piperidin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 5,10,20-tricyclohexyl-15-piperidin-4-yl-21,22-dihydroporphyrin Openeye Name: 5,10,20-tricyclohexyl-15-(4-piperidyl)-21,22-dihydroporphyrin CAS Name: 5,10,20-tricyclohexyl-15-(4-piperidinyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tricyclohexyl-15-piperidin-4-yl-21,22-dihydroporphyrin Traditional Name: 5,10,20-tricyclohexyl-15-(4-piperidyl)-21,22-dihydroporphine Formula: C43H53N5 MolecularWeight: 639.91442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7CCNCC7)C8CCCCC8)C9CCCCC9)N3

Isomeric SMILES

C1CCC(CC1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7CCNCC7)C8CCCCC8)C9CCCCC9)N3

InChI

InChI=1S/C43H53N5/c1-4-10-28(11-5-1)40-32-16-18-34(45-32)41(29-12-6-2-7-13-29)36-20-22-38(47-36)43(31-24-26-44-27-25-31)39-23-21-37(48-39)42(30-14-8-3-9-15-30)35-19-17-33(40)46-35/h16-23,28-31,44-46H,1-15,24-27H2