3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole

C116H72N4 — CID 162053455

About 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole

3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole (PubChem CID 162053455) has the molecular formula C116H72N4 and a molecular weight of 1521.88 g/mol. Its IUPAC name is 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
• PubChem CID: 162053455
• Molecular Formula: C116H72N4
• Molecular Weight: 1521.88 g/mol
• Exact Mass: 1520.58
• IUPAC Name: 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
• SMILES: c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)c1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5)ccc43)cccc2c1
• InChI: InChI=1S/2C58H36N2/c1-3-15-44-37(12-1)14-11-23-53(44)60-55-22-10-8-19-48(55)52-35-41(29-33-57(52)60)40-28-32-56-51(34-40)47-18-7-9-21-54(47)59(56)43-30-26-39(27-31-43)50-36-42-25-24-38-13-2-4-16-45(38)58(42)49-20-6-5-17-46(49)50;1-2-17-43-37(13-1)14-12-26-54(43)60-56-25-10-8-23-50(56)53-36-41(29-32-58(53)60)40-28-31-57-52(35-40)49-22-7-9-24-55(49)59(57)42-16-11-15-38(33-42)39-27-30-48-46-20-4-3-18-44(46)45-19-5-6-21-47(45)51(48)34-39/h2*1-36H
• InChIKey: YYVWNXMGIGTHDP-UHFFFAOYSA-N
• XLogP: 31.66
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1521.88
LogP ≤ 5	31.66
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-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?

The IUPAC name of 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole (CID 162053455) is 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole.

What is the SMILES notation for 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?

The canonical SMILES for 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)c1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5)ccc43)cccc2c1.

What is the InChIKey of 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?

The InChIKey is YYVWNXMGIGTHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H36N2/c1-3-15-44-37(12-1)14-11-23-53(44)60-55-22-10-8-19-48(55)52-35-41(29-33-57(52)60)40-28-32-56-51(34-40)47-18-7-9-21-54(47)59(56)43-30-26-39(27-31-43)50-36-42-25-24-38-13-2-4-16-45(38)58(42)49-20-6-5-17-46(49)50;1-2-17-43-37(13-1)14-12-26-54(43)60-56-25-10-8-23-50(56)53-36-41(29-32-58(53)60)40-28-31-57-52(35-40)49-22-7-9-24-55(49)59(57)42-16-11-15-38(33-42)39-27-30-48-46-20-4-3-18-44(46)45-19-5-6-21-47(45)51(48)34-39/h2*1-36H.

What are the key properties of 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?

3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole has a molecular weight of 1521.88 g/mol, XLogP of 31.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole is sourced from PubChem (CID 162053455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).