9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole

C61H43N3 — CID 174303299

About 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole

9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole (PubChem CID 174303299) has the molecular formula C61H43N3 and a molecular weight of 818.04 g/mol. Its IUPAC name is 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 174303299
• Molecular Formula: C61H43N3
• Molecular Weight: 818.04 g/mol
• Exact Mass: 817.35
• IUPAC Name: 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
• SMILES: C=Cc1c(/C=C\C)n(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2ccccc12
• InChI: InChI=1S/C61H43N3/c1-3-15-56-50(4-2)51-16-5-10-21-57(51)62(56)47-32-26-41(27-33-47)44-38-45(42-28-34-48(35-29-42)63-58-22-11-6-17-52(58)53-18-7-12-23-59(53)63)40-46(39-44)43-30-36-49(37-31-43)64-60-24-13-8-19-54(60)55-20-9-14-25-61(55)64/h3-40H,2H2,1H3/b15-3-
• InChIKey: GBUCNPYGJQBFPI-CQPUUCJISA-N
• XLogP: 16.50
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.04
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole (CID 174303299) is 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole is C=Cc1c(/C=C\C)n(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2ccccc12.

What is the InChIKey of 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole?

The InChIKey is GBUCNPYGJQBFPI-CQPUUCJISA-N. The full InChI is InChI=1S/C61H43N3/c1-3-15-56-50(4-2)51-16-5-10-21-57(51)62(56)47-32-26-41(27-33-47)44-38-45(42-28-34-48(35-29-42)63-58-22-11-6-17-52(58)53-18-7-12-23-59(53)63)40-46(39-44)43-30-36-49(37-31-43)64-60-24-13-8-19-54(60)55-20-9-14-25-61(55)64/h3-40H,2H2,1H3/b15-3-.

What are the key properties of 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole?

9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 818.04 g/mol, XLogP of 16.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 174303299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).