3-(4-phenylphenyl)phenanthro[9,10-c]pyridine

C29H19N — CID 59575272

IUPAC3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
SMILESc1ccc(-c2ccc(-c3cc4c5ccccc5c5ccccc5c4cn3)cc2)cc1
InChIInChI=1S/C29H19N/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)29-18-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)28(27)19-30-29/h1-19H
InChIKeyPMWWODGRVXZXFR-UHFFFAOYSA-N
MW381.48 g/mol
LogP7.88
Rot. Bonds2

About 3-(4-phenylphenyl)phenanthro[9,10-c]pyridine

3-(4-phenylphenyl)phenanthro[9,10-c]pyridine (PubChem CID 59575272) has the molecular formula C29H19N and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(4-phenylphenyl)phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
PubChem CID59575272
Molecular FormulaC29H19N
Molecular Weight381.48 g/mol
Exact Mass381.15
IUPAC Name3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
SMILESc1ccc(-c2ccc(-c3cc4c5ccccc5c5ccccc5c4cn3)cc2)cc1
InChIInChI=1S/C29H19N/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)29-18-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)28(27)19-30-29/h1-19H
InChIKeyPMWWODGRVXZXFR-UHFFFAOYSA-N
XLogP7.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-phenanthro[9,10-c]pyridin-3-ylphenyl)phenyl]phenanthro[9,10-c]pyridine
CID 59575267
3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575305
3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine
CID 71733892
3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine
CID 122487385
10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine
CID 135127404
4-[4-(4-phenylphenyl)phenyl]-5,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 58038243
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine
CID 170520847
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
2,4-diphenyl-6-triphenylen-2-ylpyridine
CID 118490712
4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
CID 137389670
2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
CID 155655416

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)phenanthro[9,10-c]pyridine?
The IUPAC name of 3-(4-phenylphenyl)phenanthro[9,10-c]pyridine (CID 59575272) is 3-(4-phenylphenyl)phenanthro[9,10-c]pyridine.
What is the SMILES notation for 3-(4-phenylphenyl)phenanthro[9,10-c]pyridine?
The canonical SMILES for 3-(4-phenylphenyl)phenanthro[9,10-c]pyridine is c1ccc(-c2ccc(-c3cc4c5ccccc5c5ccccc5c4cn3)cc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)phenanthro[9,10-c]pyridine?
The InChIKey is PMWWODGRVXZXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)29-18-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)28(27)19-30-29/h1-19H.
What are the key properties of 3-(4-phenylphenyl)phenanthro[9,10-c]pyridine?
3-(4-phenylphenyl)phenanthro[9,10-c]pyridine has a molecular weight of 381.48 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)phenanthro[9,10-c]pyridine is sourced from PubChem (CID 59575272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).