7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline

C35H23N3 — CID 167339318

IUPAC7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5cccnc5c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C35H23N3/c1-2-9-25(10-3-1)33-23-34(38-35(37-33)31-18-15-24-8-4-5-11-27(24)21-31)30-13-6-12-28(20-30)29-17-16-26-14-7-19-36-32(26)22-29/h1-23H
InChIKeyAIMCZSNBGLULCI-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.85
Rot. Bonds4

About 7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline

7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline (PubChem CID 167339318) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline.

Molecular Properties

Compound Name7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline
PubChem CID167339318
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5cccnc5c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C35H23N3/c1-2-9-25(10-3-1)33-23-34(38-35(37-33)31-18-15-24-8-4-5-11-27(24)21-31)30-13-6-12-28(20-30)29-17-16-26-14-7-19-36-32(26)22-29/h1-23H
InChIKeyAIMCZSNBGLULCI-UHFFFAOYSA-N
XLogP8.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
CID 118582329
6-[4,6-bis(4-anthracen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 154599222
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 122548824
7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline
CID 118372291
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414
2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
2-[3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121338958
2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 137433530

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline?
The IUPAC name of 7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline (CID 167339318) is 7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline.
What is the SMILES notation for 7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline?
The canonical SMILES for 7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline is c1ccc(-c2cc(-c3cccc(-c4ccc5cccnc5c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline?
The InChIKey is AIMCZSNBGLULCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-2-9-25(10-3-1)33-23-34(38-35(37-33)31-18-15-24-8-4-5-11-27(24)21-31)30-13-6-12-28(20-30)29-17-16-26-14-7-19-36-32(26)22-29/h1-23H.
What are the key properties of 7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline?
7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline has a molecular weight of 485.59 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline is sourced from PubChem (CID 167339318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).