5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene

C72H68N4 — CID 143543595

About 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene

5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene (PubChem CID 143543595) has the molecular formula C72H68N4 and a molecular weight of 989.36 g/mol. Its IUPAC name is 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene.

Molecular Properties

• Compound Name: 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene
• PubChem CID: 143543595
• Molecular Formula: C72H68N4
• Molecular Weight: 989.36 g/mol
• Exact Mass: 988.54
• IUPAC Name: 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene
• SMILES: C=CC(C)C(=C)CC.C=Cc1c(/C=C\C)n(-c2ccc(Cc3cc(Cc4ccc(-n5c(/C=C\C)c(CC)c6ccccc65)cc4)cc(Cc4ccc(-n5c6ccccc6c6cnccc65)cc4)c3)cc2)c2ccccc12
• InChI: InChI=1S/C64H54N4.C8H14/c1-5-15-59-53(7-3)55-17-9-12-20-61(55)66(59)50-29-23-44(24-30-50)37-47-40-48(38-45-25-31-51(32-26-45)67-60(16-6-2)54(8-4)56-18-10-13-21-62(56)67)42-49(41-47)39-46-27-33-52(34-28-46)68-63-22-14-11-19-57(63)58-43-65-36-35-64(58)68;1-5-7(3)8(4)6-2/h5-7,9-36,40-43H,3,8,37-39H2,1-2,4H3;5,7H,1,4,6H2,2-3H3/b15-5-,16-6-
• InChIKey: LIRYIFPTEOJAQA-PNTOYMIGSA-N
• XLogP: 18.89
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.36
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene?

The IUPAC name of 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene (CID 143543595) is 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene.

What is the SMILES notation for 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene?

The canonical SMILES for 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene is C=CC(C)C(=C)CC.C=Cc1c(/C=C\C)n(-c2ccc(Cc3cc(Cc4ccc(-n5c(/C=C\C)c(CC)c6ccccc65)cc4)cc(Cc4ccc(-n5c6ccccc6c6cnccc65)cc4)c3)cc2)c2ccccc12.

What is the InChIKey of 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene?

The InChIKey is LIRYIFPTEOJAQA-PNTOYMIGSA-N. The full InChI is InChI=1S/C64H54N4.C8H14/c1-5-15-59-53(7-3)55-17-9-12-20-61(55)66(59)50-29-23-44(24-30-50)37-47-40-48(38-45-25-31-51(32-26-45)67-60(16-6-2)54(8-4)56-18-10-13-21-62(56)67)42-49(41-47)39-46-27-33-52(34-28-46)68-63-22-14-11-19-57(63)58-43-65-36-35-64(58)68;1-5-7(3)8(4)6-2/h5-7,9-36,40-43H,3,8,37-39H2,1-2,4H3;5,7H,1,4,6H2,2-3H3/b15-5-,16-6-;.

What are the key properties of 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene?

5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene has a molecular weight of 989.36 g/mol, XLogP of 18.89, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene is sourced from PubChem (CID 143543595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).