2,4-bis(4-phenylnaphthalen-1-yl)quinoline

C41H27N — CID 146334508

IUPAC2,4-bis(4-phenylnaphthalen-1-yl)quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccccc4n3)c3ccccc23)cc1
InChIInChI=1S/C41H27N/c1-3-13-28(14-4-1)30-23-25-36(34-19-9-7-17-32(30)34)39-27-41(42-40-22-12-11-21-37(39)40)38-26-24-31(29-15-5-2-6-16-29)33-18-8-10-20-35(33)38/h1-27H
InChIKeyODPHBCZOJLMYFO-UHFFFAOYSA-N
MW533.67 g/mol
LogP11.21
Rot. Bonds4

About 2,4-bis(4-phenylnaphthalen-1-yl)quinoline

2,4-bis(4-phenylnaphthalen-1-yl)quinoline (PubChem CID 146334508) has the molecular formula C41H27N and a molecular weight of 533.67 g/mol. Its IUPAC name is 2,4-bis(4-phenylnaphthalen-1-yl)quinoline.

Molecular Properties

Compound Name2,4-bis(4-phenylnaphthalen-1-yl)quinoline
PubChem CID146334508
Molecular FormulaC41H27N
Molecular Weight533.67 g/mol
Exact Mass533.21
IUPAC Name2,4-bis(4-phenylnaphthalen-1-yl)quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccccc4n3)c3ccccc23)cc1
InChIInChI=1S/C41H27N/c1-3-13-28(14-4-1)30-23-25-36(34-19-9-7-17-32(30)34)39-27-41(42-40-22-12-11-21-37(39)40)38-26-24-31(29-15-5-2-6-16-29)33-18-8-10-20-35(33)38/h1-27H
InChIKeyODPHBCZOJLMYFO-UHFFFAOYSA-N
XLogP11.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-bis(4-phenylnaphthalen-1-yl)quinoline
CID 163839918
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123
2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000154
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline
CID 15099821
2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
CID 86102330
2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline
CID 2460701
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
CID 126579083
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000157

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-phenylnaphthalen-1-yl)quinoline?
The IUPAC name of 2,4-bis(4-phenylnaphthalen-1-yl)quinoline (CID 146334508) is 2,4-bis(4-phenylnaphthalen-1-yl)quinoline.
What is the SMILES notation for 2,4-bis(4-phenylnaphthalen-1-yl)quinoline?
The canonical SMILES for 2,4-bis(4-phenylnaphthalen-1-yl)quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccccc4n3)c3ccccc23)cc1.
What is the InChIKey of 2,4-bis(4-phenylnaphthalen-1-yl)quinoline?
The InChIKey is ODPHBCZOJLMYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N/c1-3-13-28(14-4-1)30-23-25-36(34-19-9-7-17-32(30)34)39-27-41(42-40-22-12-11-21-37(39)40)38-26-24-31(29-15-5-2-6-16-29)33-18-8-10-20-35(33)38/h1-27H.
What are the key properties of 2,4-bis(4-phenylnaphthalen-1-yl)quinoline?
2,4-bis(4-phenylnaphthalen-1-yl)quinoline has a molecular weight of 533.67 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-phenylnaphthalen-1-yl)quinoline is sourced from PubChem (CID 146334508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).