3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole

C134H85N3 — CID 159219862

About 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole

3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole (PubChem CID 159219862) has the molecular formula C134H85N3 and a molecular weight of 1737.17 g/mol. Its IUPAC name is 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole
• PubChem CID: 159219862
• Molecular Formula: C134H85N3
• Molecular Weight: 1737.17 g/mol
• Exact Mass: 1735.67
• IUPAC Name: 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole
• SMILES: c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc3ccccc3c3ccccc23)cc(-c2cccc3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(c1)cc(-n1c3ccccc3c3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc31)c1ccccc12
• InChI: InChI=1S/C50H31N.2C42H27N/c1-2-12-37-36(11-1)31-50(44-18-8-7-13-38(37)44)51-48-20-10-9-19-45(48)47-30-35(26-28-49(47)51)33-23-21-32(22-24-33)34-25-27-43-41-16-4-3-14-39(41)40-15-5-6-17-42(40)46(43)29-34;1-3-16-33-28(11-1)13-10-21-34(33)31-15-9-14-29(25-31)30-23-24-41-39(26-30)38-20-7-8-22-40(38)43(41)42-27-32-12-2-4-17-35(32)36-18-5-6-19-37(36)42;1-2-11-29-24-32(21-20-28(29)10-1)30-13-9-14-31(25-30)33-22-23-41-39(26-33)38-18-7-8-19-40(38)43(41)42-27-34-12-3-4-15-35(34)36-16-5-6-17-37(36)42/h1-31H;2*1-27H
• InChIKey: KRNWWMARVOQHDT-UHFFFAOYSA-N
• XLogP: 37.04
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1737.17
LogP ≤ 5	37.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole?

The IUPAC name of 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole (CID 159219862) is 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole.

What is the SMILES notation for 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole?

The canonical SMILES for 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole is c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc3ccccc3c3ccccc23)cc(-c2cccc3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(c1)cc(-n1c3ccccc3c3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc31)c1ccccc12.

What is the InChIKey of 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole?

The InChIKey is KRNWWMARVOQHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N.2C42H27N/c1-2-12-37-36(11-1)31-50(44-18-8-7-13-38(37)44)51-48-20-10-9-19-45(48)47-30-35(26-28-49(47)51)33-23-21-32(22-24-33)34-25-27-43-41-16-4-3-14-39(41)40-15-5-6-17-42(40)46(43)29-34;1-3-16-33-28(11-1)13-10-21-34(33)31-15-9-14-29(25-31)30-23-24-41-39(26-30)38-20-7-8-22-40(38)43(41)42-27-32-12-2-4-17-35(32)36-18-5-6-19-37(36)42;1-2-11-29-24-32(21-20-28(29)10-1)30-13-9-14-31(25-30)33-22-23-41-39(26-33)38-18-7-8-19-40(38)43(41)42-27-34-12-3-4-15-35(34)36-16-5-6-17-37(36)42/h1-31H;2*1-27H.

What are the key properties of 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole?

3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole has a molecular weight of 1737.17 g/mol, XLogP of 37.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole is sourced from PubChem (CID 159219862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).