3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine

C41H25N — CID 59575305

IUPAC3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc3c4ccccc4c4ccccc4c3cn2)c1
InChIInChI=1S/C41H25N/c1-2-16-33-29(12-1)30-13-3-6-17-34(30)38-23-27(20-21-37(33)38)26-10-9-11-28(22-26)41-24-39-35-18-7-4-14-31(35)32-15-5-8-19-36(32)40(39)25-42-41/h1-25H
InChIKeyZPJBLUZYLWNOBS-UHFFFAOYSA-N
MW531.66 g/mol
LogP11.33
Rot. Bonds2

About 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine

3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine (PubChem CID 59575305) has the molecular formula C41H25N and a molecular weight of 531.66 g/mol. Its IUPAC name is 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine
PubChem CID59575305
Molecular FormulaC41H25N
Molecular Weight531.66 g/mol
Exact Mass531.20
IUPAC Name3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc3c4ccccc4c4ccccc4c3cn2)c1
InChIInChI=1S/C41H25N/c1-2-16-33-29(12-1)30-13-3-6-17-34(30)38-23-27(20-21-37(33)38)26-10-9-11-28(22-26)41-24-39-35-18-7-4-14-31(35)32-15-5-8-19-36(32)40(39)25-42-41/h1-25H
InChIKeyZPJBLUZYLWNOBS-UHFFFAOYSA-N
XLogP11.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine 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

3-[3-(3-phenanthro[9,10-c]pyridin-3-ylphenyl)phenyl]phenanthro[9,10-c]pyridine
CID 59575267
3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
CID 59575272
10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine
CID 135127404
4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
CID 137389670
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 134393989
3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine
CID 122487385
5-(3-chlorophenyl)-4-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene
CID 146641814
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 158485358
8-[3-[3-[3-[3-(3-phenanthro[9,10-c]pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 177115867
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671

Frequently Asked Questions

What is the IUPAC name of 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine?
The IUPAC name of 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine (CID 59575305) is 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine.
What is the SMILES notation for 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine?
The canonical SMILES for 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc3c4ccccc4c4ccccc4c3cn2)c1.
What is the InChIKey of 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine?
The InChIKey is ZPJBLUZYLWNOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N/c1-2-16-33-29(12-1)30-13-3-6-17-34(30)38-23-27(20-21-37(33)38)26-10-9-11-28(22-26)41-24-39-35-18-7-4-14-31(35)32-15-5-8-19-36(32)40(39)25-42-41/h1-25H.
What are the key properties of 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine?
3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine has a molecular weight of 531.66 g/mol, XLogP of 11.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine is sourced from PubChem (CID 59575305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).