3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole

C114H74N2 — CID 160984322

About 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole

3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole (PubChem CID 160984322) has the molecular formula C114H74N2 and a molecular weight of 1471.86 g/mol. Its IUPAC name is 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
• PubChem CID: 160984322
• Molecular Formula: C114H74N2
• Molecular Weight: 1471.86 g/mol
• Exact Mass: 1470.59
• IUPAC Name: 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)c2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)c2)cc1
• InChI: InChI=1S/C60H39N.C54H35N/c1-3-14-40(15-4-1)47-29-32-59-57(38-47)58-39-48(41-16-5-2-6-17-41)30-33-60(58)61(59)50-23-13-22-46(36-50)44-20-11-18-42(34-44)43-19-12-21-45(35-43)49-28-31-55-53-26-8-7-24-51(53)52-25-9-10-27-54(52)56(55)37-49;1-2-13-36(14-3-1)42-28-30-54-52(35-42)50-25-8-9-26-53(50)55(54)44-20-12-19-41(33-44)39-17-10-15-37(31-39)38-16-11-18-40(32-38)43-27-29-49-47-23-5-4-21-45(47)46-22-6-7-24-48(46)51(49)34-43/h1-39H;1-35H
• InChIKey: SZXQNQZBLGMOJP-UHFFFAOYSA-N
• XLogP: 31.49
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1471.86
LogP ≤ 5	31.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole?

The IUPAC name of 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole (CID 160984322) is 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole.

What is the SMILES notation for 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole?

The canonical SMILES for 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)c2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)c2)cc1.

What is the InChIKey of 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole?

The InChIKey is SZXQNQZBLGMOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N.C54H35N/c1-3-14-40(15-4-1)47-29-32-59-57(38-47)58-39-48(41-16-5-2-6-17-41)30-33-60(58)61(59)50-23-13-22-46(36-50)44-20-11-18-42(34-44)43-19-12-21-45(35-43)49-28-31-55-53-26-8-7-24-51(53)52-25-9-10-27-54(52)56(55)37-49;1-2-13-36(14-3-1)42-28-30-54-52(35-42)50-25-8-9-26-53(50)55(54)44-20-12-19-41(33-44)39-17-10-15-37(31-39)38-16-11-18-40(32-38)43-27-29-49-47-23-5-4-21-45(47)46-22-6-7-24-48(46)51(49)34-43/h1-39H;1-35H.

What are the key properties of 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole?

3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole has a molecular weight of 1471.86 g/mol, XLogP of 31.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 160984322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).