2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole

C69H47N5 — CID 155179722

About 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole

2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole (PubChem CID 155179722) has the molecular formula C69H47N5 and a molecular weight of 946.17 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole
• PubChem CID: 155179722
• Molecular Formula: C69H47N5
• Molecular Weight: 946.17 g/mol
• Exact Mass: 945.38
• IUPAC Name: 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole
• SMILES: C=C(/C=C(C(=C\c1ccc(-c2ccccc2)cc1)\n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21)/c1ccc(-c2ccccc2)cc1)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C69H47N5/c1-47(67-70-68(54-24-10-4-11-25-54)72-69(71-67)55-26-12-5-13-27-55)44-61(53-40-38-52(39-41-53)50-22-8-3-9-23-50)65(45-48-34-36-51(37-35-48)49-20-6-2-7-21-49)74-64-33-19-16-30-59(64)60-43-42-56(46-66(60)74)73-62-31-17-14-28-57(62)58-29-15-18-32-63(58)73/h2-46H,1H2/b61-44-,65-45-
• InChIKey: NYGNROREFWIYFO-SRWXSIBHSA-N
• XLogP: 17.54
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.17
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole?

The IUPAC name of 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole (CID 155179722) is 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole.

What is the SMILES notation for 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole?

The canonical SMILES for 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole is C=C(/C=C(C(=C\c1ccc(-c2ccccc2)cc1)\n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21)/c1ccc(-c2ccccc2)cc1)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole?

The InChIKey is NYGNROREFWIYFO-SRWXSIBHSA-N. The full InChI is InChI=1S/C69H47N5/c1-47(67-70-68(54-24-10-4-11-25-54)72-69(71-67)55-26-12-5-13-27-55)44-61(53-40-38-52(39-41-53)50-22-8-3-9-23-50)65(45-48-34-36-51(37-35-48)49-20-6-2-7-21-49)74-64-33-19-16-30-59(64)60-43-42-56(46-66(60)74)73-62-31-17-14-28-57(62)58-29-15-18-32-63(58)73/h2-46H,1H2/b61-44-,65-45-.

What are the key properties of 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole?

2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole has a molecular weight of 946.17 g/mol, XLogP of 17.54, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-bis(4-phenylphenyl)hexa-1,3,5-trien-2-yl]carbazole is sourced from PubChem (CID 155179722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).