3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole

C108H68N4 — CID 157485018

About 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole

3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 157485018) has the molecular formula C108H68N4 and a molecular weight of 1421.76 g/mol. Its IUPAC name is 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
• PubChem CID: 157485018
• Molecular Formula: C108H68N4
• Molecular Weight: 1421.76 g/mol
• Exact Mass: 1420.54
• IUPAC Name: 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccc7ccccc7c6c6ccccc56)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)cc2)cc1
• InChI: InChI=1S/2C54H34N2/c1-2-12-35(13-3-1)36-22-26-39(27-23-36)55-51-20-10-8-18-46(51)49-32-37(24-30-53(49)55)38-25-31-54-50(33-38)47-19-9-11-21-52(47)56(54)40-28-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)34-40;1-2-12-35(13-3-1)36-24-28-41(29-25-36)55-49-20-10-8-17-44(49)47-32-38(26-30-51(47)55)39-27-31-52-48(33-39)45-18-9-11-21-50(45)56(52)53-34-40-23-22-37-14-4-5-15-42(37)54(40)46-19-7-6-16-43(46)53/h2*1-34H
• InChIKey: BWPMBACRBUOISC-UHFFFAOYSA-N
• XLogP: 29.35
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1421.76
LogP ≤ 5	29.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

The IUPAC name of 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole (CID 157485018) is 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

What is the SMILES notation for 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

The canonical SMILES for 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccc7ccccc7c6c6ccccc56)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)cc2)cc1.

What is the InChIKey of 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

The InChIKey is BWPMBACRBUOISC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H34N2/c1-2-12-35(13-3-1)36-22-26-39(27-23-36)55-51-20-10-8-18-46(51)49-32-37(24-30-53(49)55)38-25-31-54-50(33-38)47-19-9-11-21-52(47)56(54)40-28-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)34-40;1-2-12-35(13-3-1)36-24-28-41(29-25-36)55-49-20-10-8-17-44(49)47-32-38(26-30-51(47)55)39-27-31-52-48(33-39)45-18-9-11-21-50(45)56(52)53-34-40-23-22-37-14-4-5-15-42(37)54(40)46-19-7-6-16-43(46)53/h2*1-34H.

What are the key properties of 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?

3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole has a molecular weight of 1421.76 g/mol, XLogP of 29.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 157485018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).