2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine

C41H26N2 — CID 89369583

IUPAC2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4n3)c2)cc1
InChIInChI=1S/C41H26N2/c1-2-11-27(12-3-1)28-21-24-40-37(26-28)34-18-8-9-20-39(34)43(40)30-14-10-13-29(25-30)38-23-22-36-33-17-5-4-15-31(33)32-16-6-7-19-35(32)41(36)42-38/h1-26H
InChIKeyWJRRGQBHHGTZAT-UHFFFAOYSA-N
MW546.67 g/mol
LogP10.97
Rot. Bonds3

About 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine

2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine (PubChem CID 89369583) has the molecular formula C41H26N2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine.

Molecular Properties

Compound Name2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine
PubChem CID89369583
Molecular FormulaC41H26N2
Molecular Weight546.67 g/mol
Exact Mass546.21
IUPAC Name2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4n3)c2)cc1
InChIInChI=1S/C41H26N2/c1-2-11-27(12-3-1)28-21-24-40-37(26-28)34-18-8-9-20-39(34)43(40)30-14-10-13-29(25-30)38-23-22-36-33-17-5-4-15-31(33)32-16-6-7-19-35(32)41(36)42-38/h1-26H
InChIKeyWJRRGQBHHGTZAT-UHFFFAOYSA-N
XLogP10.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]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

5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole
CID 146187435
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 159743205
6,11-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682663
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 58410317
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine?
The IUPAC name of 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine (CID 89369583) is 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine.
What is the SMILES notation for 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine?
The canonical SMILES for 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4n3)c2)cc1.
What is the InChIKey of 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine?
The InChIKey is WJRRGQBHHGTZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2/c1-2-11-27(12-3-1)28-21-24-40-37(26-28)34-18-8-9-20-39(34)43(40)30-14-10-13-29(25-30)38-23-22-36-33-17-5-4-15-31(33)32-16-6-7-19-35(32)41(36)42-38/h1-26H.
What are the key properties of 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine?
2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine has a molecular weight of 546.67 g/mol, XLogP of 10.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine is sourced from PubChem (CID 89369583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).