2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole

C69H50N6 — CID 177276895

About 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole

2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole (PubChem CID 177276895) has the molecular formula C69H50N6 and a molecular weight of 963.20 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
• PubChem CID: 177276895
• Molecular Formula: C69H50N6
• Molecular Weight: 963.20 g/mol
• Exact Mass: 962.41
• IUPAC Name: 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
• SMILES: C=C(/C=C(C(=C\c1ccccc1)\n1c2ccc(-n3c4c(c5ccccc53)C=CCC4)cc2c2ccc(-n3c4ccccc4c4ccccc43)cc21)/c1ccccc1)c1nc(C2=CCCC=C2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C69H50N6/c1-46(67-70-68(49-26-10-4-11-27-49)72-69(71-67)50-28-12-5-13-29-50)42-58(48-24-8-3-9-25-48)65(43-47-22-6-2-7-23-47)75-64-41-39-51(73-60-34-18-14-30-53(60)54-31-15-19-35-61(54)73)44-59(64)57-40-38-52(45-66(57)75)74-62-36-20-16-32-55(62)56-33-17-21-37-63(56)74/h2-4,6-12,14-18,20-34,36-45H,1,5,13,19,35H2/b58-42-,65-43-
• InChIKey: UOFOJXOHJBWJLJ-MVARNQDESA-N
• XLogP: 17.18
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.20
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole?

The IUPAC name of 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole (CID 177276895) is 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole.

What is the SMILES notation for 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole?

The canonical SMILES for 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole is C=C(/C=C(C(=C\c1ccccc1)\n1c2ccc(-n3c4c(c5ccccc53)C=CCC4)cc2c2ccc(-n3c4ccccc4c4ccccc43)cc21)/c1ccccc1)c1nc(C2=CCCC=C2)nc(-c2ccccc2)n1.

What is the InChIKey of 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole?

The InChIKey is UOFOJXOHJBWJLJ-MVARNQDESA-N. The full InChI is InChI=1S/C69H50N6/c1-46(67-70-68(49-26-10-4-11-27-49)72-69(71-67)50-28-12-5-13-29-50)42-58(48-24-8-3-9-25-48)65(43-47-22-6-2-7-23-47)75-64-41-39-51(73-60-34-18-14-30-53(60)54-31-15-19-35-61(54)73)44-59(64)57-40-38-52(45-66(57)75)74-62-36-20-16-32-55(62)56-33-17-21-37-63(56)74/h2-4,6-12,14-18,20-34,36-45H,1,5,13,19,35H2/b58-42-,65-43-.

What are the key properties of 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole?

2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole has a molecular weight of 963.20 g/mol, XLogP of 17.18, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-9-[(1Z,3Z)-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,3-diphenylhexa-1,3,5-trien-2-yl]-6-(1,2-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 177276895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).