3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline

C31H22N2 — CID 170293992

IUPAC3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
SMILESCc1ccc(-c2ccc3ccc(-c4ccc(-c5cnc6ccccc6c5)nc4)cc3c2)cc1
InChIInChI=1S/C31H22N2/c1-21-6-8-22(9-7-21)24-12-10-23-11-13-25(17-28(23)16-24)27-14-15-31(32-19-27)29-18-26-4-2-3-5-30(26)33-20-29/h2-20H,1H3
InChIKeyHIOWLDVRILURLZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.09
Rot. Bonds3

About 3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline

3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline (PubChem CID 170293992) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
PubChem CID170293992
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
SMILESCc1ccc(-c2ccc3ccc(-c4ccc(-c5cnc6ccccc6c5)nc4)cc3c2)cc1
InChIInChI=1S/C31H22N2/c1-21-6-8-22(9-7-21)24-12-10-23-11-13-25(17-28(23)16-24)27-14-15-31(32-19-27)29-18-26-4-2-3-5-30(26)33-20-29/h2-20H,1H3
InChIKeyHIOWLDVRILURLZ-UHFFFAOYSA-N
XLogP8.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(6-phenylnaphthalen-2-yl)-2-pyridinyl]quinoline
CID 170293247
3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
CID 169293981
5-[7-(4-iodophenyl)naphthalen-2-yl]-2-(4-methylphenyl)pyridine
CID 170290982
3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline
CID 142335647
5-[7-(4-ethylphenyl)naphthalen-2-yl]-2-(4-methylphenyl)pyridine
CID 170290967
4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012307
2-(5-methyl-2-pyridinyl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554691
5-methyl-2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]pyridine
CID 134531244
5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline
CID 130354469
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
2-(5-methyl-2-pyridinyl)-5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554329
2-(4-methylphenyl)-7-phenylnaphthalene
CID 155763940

Frequently Asked Questions

What is the IUPAC name of 3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
The IUPAC name of 3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline (CID 170293992) is 3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline.
What is the SMILES notation for 3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
The canonical SMILES for 3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline is Cc1ccc(-c2ccc3ccc(-c4ccc(-c5cnc6ccccc6c5)nc4)cc3c2)cc1.
What is the InChIKey of 3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
The InChIKey is HIOWLDVRILURLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c1-21-6-8-22(9-7-21)24-12-10-23-11-13-25(17-28(23)16-24)27-14-15-31(32-19-27)29-18-26-4-2-3-5-30(26)33-20-29/h2-20H,1H3.
What are the key properties of 3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline has a molecular weight of 422.53 g/mol, XLogP of 8.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline is sourced from PubChem (CID 170293992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).