2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole

C63H43N5 — CID 168784060

About 2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole

2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole (PubChem CID 168784060) has the molecular formula C63H43N5 and a molecular weight of 870.07 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
• PubChem CID: 168784060
• Molecular Formula: C63H43N5
• Molecular Weight: 870.07 g/mol
• Exact Mass: 869.35
• IUPAC Name: 2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
• SMILES: C=C/C=C(\C=C)c1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c(-c3ccccc3)c2)n1
• InChI: InChI=1S/C63H43N5/c1-3-21-42(4-2)61-64-62(46-28-15-8-16-29-46)66-63(65-61)48-39-53(44-24-11-6-12-25-44)60(54(40-48)45-26-13-7-14-27-45)68-58-37-34-47(43-22-9-5-10-23-43)38-55(58)52-36-35-49(41-59(52)68)67-56-32-19-17-30-50(56)51-31-18-20-33-57(51)67/h3-41H,1-2H2/b42-21+
• InChIKey: HXAUOTJLJUBDON-BKPOFFDFSA-N
• XLogP: 16.16
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.07
LogP ≤ 5	16.16
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-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole?

The IUPAC name of 2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole (CID 168784060) is 2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole.

What is the SMILES notation for 2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole?

The canonical SMILES for 2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole is C=C/C=C(\C=C)c1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c(-c3ccccc3)c2)n1.

What is the InChIKey of 2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole?

The InChIKey is HXAUOTJLJUBDON-BKPOFFDFSA-N. The full InChI is InChI=1S/C63H43N5/c1-3-21-42(4-2)61-64-62(46-28-15-8-16-29-46)66-63(65-61)48-39-53(44-24-11-6-12-25-44)60(54(40-48)45-26-13-7-14-27-45)68-58-37-34-47(43-22-9-5-10-23-43)38-55(58)52-36-35-49(41-59(52)68)67-56-32-19-17-30-50(56)51-31-18-20-33-57(51)67/h3-41H,1-2H2/b42-21+.

What are the key properties of 2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole?

2-carbazol-9-yl-9-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole has a molecular weight of 870.07 g/mol, XLogP of 16.16, 10 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-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole is sourced from PubChem (CID 168784060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).