4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline

C72H48N4 — CID 159526499

IUPAC4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline
SMILESc1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc(-c5cccnc5)cc4)nc3c3ccccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc(-c5ccncc5)cc4)nc3c3ccccc23)cc1
InChIInChI=1S/2C36H24N2/c1-3-10-26(11-4-1)32-22-34-33(27-12-5-2-6-13-27)23-35(38-36(34)31-16-8-7-15-30(31)32)28-19-17-25(18-20-28)29-14-9-21-37-24-29;1-3-9-27(10-4-1)32-23-34-33(28-11-5-2-6-12-28)24-35(38-36(34)31-14-8-7-13-30(31)32)29-17-15-25(16-18-29)26-19-21-37-22-20-26/h2*1-24H
InChIKeyMCLHTIITIBZZSD-UHFFFAOYSA-N
MW969.20 g/mol
LogP18.90
Rot. Bonds8

About 4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline

4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline (PubChem CID 159526499) has the molecular formula C72H48N4 and a molecular weight of 969.20 g/mol. Its IUPAC name is 4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline.

Molecular Properties

Compound Name4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline
PubChem CID159526499
Molecular FormulaC72H48N4
Molecular Weight969.20 g/mol
Exact Mass968.39
IUPAC Name4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline
SMILESc1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc(-c5cccnc5)cc4)nc3c3ccccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc(-c5ccncc5)cc4)nc3c3ccccc23)cc1
InChIInChI=1S/2C36H24N2/c1-3-10-26(11-4-1)32-22-34-33(27-12-5-2-6-13-27)23-35(38-36(34)31-16-8-7-15-30(31)32)28-19-17-25(18-20-28)29-14-9-21-37-24-29;1-3-9-27(10-4-1)32-23-34-33(28-11-5-2-6-12-28)24-35(38-36(34)31-14-8-7-13-30(31)32)29-17-15-25(16-18-29)26-19-21-37-22-20-26/h2*1-24H
InChIKeyMCLHTIITIBZZSD-UHFFFAOYSA-N
XLogP18.90
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.20
LogP ≤ 518.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine
CID 118582495
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836420
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 165168520
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 157403455
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958979
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)benzo[h]quinoline
CID 70836427
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477583
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline
CID 162043416
4-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,7-diphenyl-1,10-phenanthroline
CID 155336393
4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-2-(4-pyrimidin-5-ylphenyl)pyrimidine
CID 157265445

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline?
The IUPAC name of 4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline (CID 159526499) is 4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline.
What is the SMILES notation for 4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline?
The canonical SMILES for 4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline is c1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc(-c5cccnc5)cc4)nc3c3ccccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)cc(-c4ccc(-c5ccncc5)cc4)nc3c3ccccc23)cc1.
What is the InChIKey of 4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline?
The InChIKey is MCLHTIITIBZZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H24N2/c1-3-10-26(11-4-1)32-22-34-33(27-12-5-2-6-13-27)23-35(38-36(34)31-16-8-7-15-30(31)32)28-19-17-25(18-20-28)29-14-9-21-37-24-29;1-3-9-27(10-4-1)32-23-34-33(28-11-5-2-6-12-28)24-35(38-36(34)31-14-8-7-13-30(31)32)29-17-15-25(16-18-29)26-19-21-37-22-20-26/h2*1-24H.
What are the key properties of 4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline?
4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline has a molecular weight of 969.20 g/mol, XLogP of 18.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline is sourced from PubChem (CID 159526499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).