4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine

C45H29N3 — CID 155249271

IUPAC4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cccc3c2nc(-c2ccc(-c4ccc(-c5cccc(-c6ccccn6)n5)cc4)cc2)c2ccc4ccccc4c23)cc1
InChIInChI=1S/C45H29N3/c1-2-10-32(11-3-1)37-14-8-15-38-43-36-13-5-4-12-33(36)27-28-39(43)44(48-45(37)38)35-25-21-31(22-26-35)30-19-23-34(24-20-30)40-17-9-18-42(47-40)41-16-6-7-29-46-41/h1-29H
InChIKeyNWBDUPRXJFYOFP-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.67
Rot. Bonds5

About 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine

4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine (PubChem CID 155249271) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine
PubChem CID155249271
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cccc3c2nc(-c2ccc(-c4ccc(-c5cccc(-c6ccccn6)n5)cc4)cc2)c2ccc4ccccc4c23)cc1
InChIInChI=1S/C45H29N3/c1-2-10-32(11-3-1)37-14-8-15-38-43-36-13-5-4-12-33(36)27-28-39(43)44(48-45(37)38)35-25-21-31(22-26-35)30-19-23-34(24-20-30)40-17-9-18-42(47-40)41-16-6-7-29-46-41/h1-29H
InChIKeyNWBDUPRXJFYOFP-UHFFFAOYSA-N
XLogP11.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine
CID 146802959
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159906159
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159184433
6-(4-phenanthren-9-ylphenyl)-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[k]phenanthridine
CID 155249489
6-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666066
6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine
CID 155249349
4-(4-carbazol-9-ylphenyl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 155249389
6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine
CID 159889513
8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine;2,4,6-triphenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
CID 167596003
6-[3-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665289
4-(4-carbazol-9-ylphenyl)-6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 155249601

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine?
The IUPAC name of 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine (CID 155249271) is 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine?
The canonical SMILES for 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine is c1ccc(-c2cccc3c2nc(-c2ccc(-c4ccc(-c5cccc(-c6ccccn6)n5)cc4)cc2)c2ccc4ccccc4c23)cc1.
What is the InChIKey of 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine?
The InChIKey is NWBDUPRXJFYOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-2-10-32(11-3-1)37-14-8-15-38-43-36-13-5-4-12-33(36)27-28-39(43)44(48-45(37)38)35-25-21-31(22-26-35)30-19-23-34(24-20-30)40-17-9-18-42(47-40)41-16-6-7-29-46-41/h1-29H.
What are the key properties of 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine?
4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine has a molecular weight of 611.75 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 155249271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).