5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole

C55H39N3 — CID 129209239

About 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole

5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole (PubChem CID 129209239) has the molecular formula C55H39N3 and a molecular weight of 741.94 g/mol. Its IUPAC name is 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole
• PubChem CID: 129209239
• Molecular Formula: C55H39N3
• Molecular Weight: 741.94 g/mol
• Exact Mass: 741.31
• IUPAC Name: 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole
• SMILES: C=C(/C=C\C=C/C)n1c2ccccc2c2ccc3c(c4ccccc4n3-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c3)c21
• InChI: InChI=1S/C55H39N3/c1-3-4-5-17-37(2)56-49-28-10-8-26-46(49)47-32-33-53-54(55(47)56)48-27-9-13-31-52(48)58(53)43-23-16-21-41(36-43)39-19-14-18-38(34-39)40-20-15-22-42(35-40)57-50-29-11-6-24-44(50)45-25-7-12-30-51(45)57/h3-36H,2H2,1H3/b4-3-,17-5-
• InChIKey: COSMFRUJFZUGKK-AFLZKEFTSA-N
• XLogP: 14.93
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.94
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole?

The IUPAC name of 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole (CID 129209239) is 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole is C=C(/C=C\C=C/C)n1c2ccccc2c2ccc3c(c4ccccc4n3-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c3)c21.

What is the InChIKey of 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole?

The InChIKey is COSMFRUJFZUGKK-AFLZKEFTSA-N. The full InChI is InChI=1S/C55H39N3/c1-3-4-5-17-37(2)56-49-28-10-8-26-46(49)47-32-33-53-54(55(47)56)48-27-9-13-31-52(48)58(53)43-23-16-21-41(36-43)39-19-14-18-38(34-39)40-20-15-22-42(35-40)57-50-29-11-6-24-44(50)45-25-7-12-30-51(45)57/h3-36H,2H2,1H3/b4-3-,17-5-.

What are the key properties of 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole?

5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole has a molecular weight of 741.94 g/mol, XLogP of 14.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 129209239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).