2,5-bis(4-phenylnaphthalen-1-yl)quinoline

C41H27N — CID 163839918

IUPAC2,5-bis(4-phenylnaphthalen-1-yl)quinoline
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)c6ccccc56)cccc4n3)c3ccccc23)cc1
InChIInChI=1S/C41H27N/c1-3-12-28(13-4-1)30-22-24-37(34-18-9-7-16-32(30)34)36-20-11-21-40-39(36)26-27-41(42-40)38-25-23-31(29-14-5-2-6-15-29)33-17-8-10-19-35(33)38/h1-27H
InChIKeyOPTOGMBSBUKNTR-UHFFFAOYSA-N
MW533.67 g/mol
LogP11.21
Rot. Bonds4

About 2,5-bis(4-phenylnaphthalen-1-yl)quinoline

2,5-bis(4-phenylnaphthalen-1-yl)quinoline (PubChem CID 163839918) has the molecular formula C41H27N and a molecular weight of 533.67 g/mol. Its IUPAC name is 2,5-bis(4-phenylnaphthalen-1-yl)quinoline.

Molecular Properties

Compound Name2,5-bis(4-phenylnaphthalen-1-yl)quinoline
PubChem CID163839918
Molecular FormulaC41H27N
Molecular Weight533.67 g/mol
Exact Mass533.21
IUPAC Name2,5-bis(4-phenylnaphthalen-1-yl)quinoline
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)c6ccccc56)cccc4n3)c3ccccc23)cc1
InChIInChI=1S/C41H27N/c1-3-12-28(13-4-1)30-22-24-37(34-18-9-7-16-32(30)34)36-20-11-21-40-39(36)26-27-41(42-40)38-25-23-31(29-14-5-2-6-15-29)33-17-8-10-19-35(33)38/h1-27H
InChIKeyOPTOGMBSBUKNTR-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

2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508
2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221322
3-naphthalen-1-ylbenzo[f]quinoline
CID 59470281
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
CID 126579083
7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
CID 166569266
cyclopenta[d][1]benzazepine
CID 90914140
4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline
CID 118261958
2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000154
2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine
CID 163947785
2-phenyl-9-(4-pyren-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 134596590
2,5,7-triphenylquinoline
CID 91559577
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 2,5-bis(4-phenylnaphthalen-1-yl)quinoline?
The IUPAC name of 2,5-bis(4-phenylnaphthalen-1-yl)quinoline (CID 163839918) is 2,5-bis(4-phenylnaphthalen-1-yl)quinoline.
What is the SMILES notation for 2,5-bis(4-phenylnaphthalen-1-yl)quinoline?
The canonical SMILES for 2,5-bis(4-phenylnaphthalen-1-yl)quinoline is c1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)c6ccccc56)cccc4n3)c3ccccc23)cc1.
What is the InChIKey of 2,5-bis(4-phenylnaphthalen-1-yl)quinoline?
The InChIKey is OPTOGMBSBUKNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N/c1-3-12-28(13-4-1)30-22-24-37(34-18-9-7-16-32(30)34)36-20-11-21-40-39(36)26-27-41(42-40)38-25-23-31(29-14-5-2-6-15-29)33-17-8-10-19-35(33)38/h1-27H.
What are the key properties of 2,5-bis(4-phenylnaphthalen-1-yl)quinoline?
2,5-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 2,5-bis(4-phenylnaphthalen-1-yl)quinoline is sourced from PubChem (CID 163839918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).