6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine

C179H113N11 — CID 159237544

About 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine

6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine (PubChem CID 159237544) has the molecular formula C179H113N11 and a molecular weight of 2417.95 g/mol. Its IUPAC name is 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine.

Molecular Properties

• Compound Name: 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine
• PubChem CID: 159237544
• Molecular Formula: C179H113N11
• Molecular Weight: 2417.95 g/mol
• Exact Mass: 2415.92
• IUPAC Name: 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4nc(-c4ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc4)c4ccc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4nc(-c4ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc4)c4ccc6ccccc6c45)c3)n2)cc1.c1ccc(-c2ccc3nc(-c4cccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)c4)c4ccc5ccccc5c4c3c2)cc1
• InChI: InChI=1S/2C63H40N4.C53H33N3/c1-3-16-44(17-4-1)56-40-57(45-18-5-2-6-19-45)65-63(64-56)48-21-13-20-47(39-48)51-25-14-26-54-60-50-22-8-7-15-43(50)35-38-55(60)61(66-62(51)54)46-31-29-41(30-32-46)42-33-36-49(37-34-42)67-58-27-11-9-23-52(58)53-24-10-12-28-59(53)67;1-3-15-45(16-4-1)56-40-57(46-17-5-2-6-18-46)65-63(64-56)48-32-28-44(29-33-48)51-22-13-23-54-60-50-19-8-7-14-43(50)36-39-55(60)61(66-62(51)54)47-30-26-41(27-31-47)42-34-37-49(38-35-42)67-58-24-11-9-20-52(58)53-21-10-12-25-59(53)67;1-2-11-34(12-3-1)40-26-28-48-47(32-40)51-45-20-9-8-15-37(45)25-27-46(51)52(54-48)43-18-10-19-44(31-43)53-55-49(41-23-21-35-13-4-6-16-38(35)29-41)33-50(56-53)42-24-22-36-14-5-7-17-39(36)30-42/h2*1-40H;1-33H
• InChIKey: KTRDRJQNRVUARZ-UHFFFAOYSA-N
• XLogP: 46.83
• TPSA: 125.87 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.95
LogP ≤ 5	46.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine?

The IUPAC name of 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine (CID 159237544) is 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine.

What is the SMILES notation for 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine?

The canonical SMILES for 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4nc(-c4ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc4)c4ccc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4nc(-c4ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc4)c4ccc6ccccc6c45)c3)n2)cc1.c1ccc(-c2ccc3nc(-c4cccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)c4)c4ccc5ccccc5c4c3c2)cc1.

What is the InChIKey of 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine?

The InChIKey is KTRDRJQNRVUARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H40N4.C53H33N3/c1-3-16-44(17-4-1)56-40-57(45-18-5-2-6-19-45)65-63(64-56)48-21-13-20-47(39-48)51-25-14-26-54-60-50-22-8-7-15-43(50)35-38-55(60)61(66-62(51)54)46-31-29-41(30-32-46)42-33-36-49(37-34-42)67-58-27-11-9-23-52(58)53-24-10-12-28-59(53)67;1-3-15-45(16-4-1)56-40-57(46-17-5-2-6-18-46)65-63(64-56)48-32-28-44(29-33-48)51-22-13-23-54-60-50-19-8-7-14-43(50)36-39-55(60)61(66-62(51)54)47-30-26-41(27-31-47)42-34-37-49(38-35-42)67-58-24-11-9-20-52(58)53-21-10-12-25-59(53)67;1-2-11-34(12-3-1)40-26-28-48-47(32-40)51-45-20-9-8-15-37(45)25-27-46(51)52(54-48)43-18-10-19-44(31-43)53-55-49(41-23-21-35-13-4-6-16-38(35)29-41)33-50(56-53)42-24-22-36-14-5-7-17-39(36)30-42/h2*1-40H;1-33H.

What are the key properties of 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine?

6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine has a molecular weight of 2417.95 g/mol, XLogP of 46.83, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine is sourced from PubChem (CID 159237544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).