6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine

C129H82N6 — CID 158944758

About 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine

6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine (PubChem CID 158944758) has the molecular formula C129H82N6 and a molecular weight of 1716.12 g/mol. Its IUPAC name is 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine.

Molecular Properties

• Compound Name: 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine
• PubChem CID: 158944758
• Molecular Formula: C129H82N6
• Molecular Weight: 1716.12 g/mol
• Exact Mass: 1714.66
• IUPAC Name: 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine
• SMILES: c1cc(-c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)ccc1c(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)nc3ccccc3c12.c1ccc2c(c1)ccc1c(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc3ccccc3c12
• InChI: InChI=1S/C47H30N2.2C41H26N2/c1-2-10-38-35(9-1)27-30-42-46(38)41-13-3-6-14-43(41)48-47(42)36-23-21-33(22-24-36)31-17-19-32(20-18-31)34-25-28-37(29-26-34)49-44-15-7-4-11-39(44)40-12-5-8-16-45(40)49;1-2-13-32-28(10-1)24-25-36-40(32)35-16-3-6-17-37(35)42-41(36)29-22-20-27(21-23-29)30-11-9-12-31(26-30)43-38-18-7-4-14-33(38)34-15-5-8-19-39(34)43;1-2-10-32-29(9-1)23-26-36-40(32)35-13-3-6-14-37(35)42-41(36)30-19-17-27(18-20-30)28-21-24-31(25-22-28)43-38-15-7-4-11-33(38)34-12-5-8-16-39(34)43/h1-30H;2*1-26H
• InChIKey: JKRKUGSSVXKDFB-UHFFFAOYSA-N
• XLogP: 34.58
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1716.12
LogP ≤ 5	34.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine?

The IUPAC name of 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine (CID 158944758) is 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine.

What is the SMILES notation for 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine?

The canonical SMILES for 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine is c1cc(-c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)ccc1c(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)nc3ccccc3c12.c1ccc2c(c1)ccc1c(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc3ccccc3c12.

What is the InChIKey of 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine?

The InChIKey is JKRKUGSSVXKDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2.2C41H26N2/c1-2-10-38-35(9-1)27-30-42-46(38)41-13-3-6-14-43(41)48-47(42)36-23-21-33(22-24-36)31-17-19-32(20-18-31)34-25-28-37(29-26-34)49-44-15-7-4-11-39(44)40-12-5-8-16-45(40)49;1-2-13-32-28(10-1)24-25-36-40(32)35-16-3-6-17-37(35)42-41(36)29-22-20-27(21-23-29)30-11-9-12-31(26-30)43-38-18-7-4-14-33(38)34-15-5-8-19-39(34)43;1-2-10-32-29(9-1)23-26-36-40(32)35-13-3-6-14-37(35)42-41(36)30-19-17-27(18-20-30)28-21-24-31(25-22-28)43-38-15-7-4-11-33(38)34-12-5-8-16-39(34)43/h1-30H;2*1-26H.

What are the key properties of 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine?

6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine has a molecular weight of 1716.12 g/mol, XLogP of 34.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 158944758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).