2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline

C48H30N4 — CID 58518517

IUPAC2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccc6ccccc6n5)cc(-c5ccc6ccccc6n5)c4)n3)ccc2c1
InChIInChI=1S/C48H30N4/c1-3-13-35-25-37(19-17-31(35)9-1)46-30-47(38-20-18-32-10-2-4-14-36(32)26-38)52-48(51-46)41-28-39(44-23-21-33-11-5-7-15-42(33)49-44)27-40(29-41)45-24-22-34-12-6-8-16-43(34)50-45/h1-30H
InChIKeyGROFPKPDWINGLX-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.21
Rot. Bonds5

About 2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline

2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline (PubChem CID 58518517) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline.

Molecular Properties

Compound Name2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline
PubChem CID58518517
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccc6ccccc6n5)cc(-c5ccc6ccccc6n5)c4)n3)ccc2c1
InChIInChI=1S/C48H30N4/c1-3-13-35-25-37(19-17-31(35)9-1)46-30-47(38-20-18-32-10-2-4-14-36(32)26-38)52-48(51-46)41-28-39(44-23-21-33-11-5-7-15-42(33)49-44)27-40(29-41)45-24-22-34-12-6-8-16-43(34)50-45/h1-30H
InChIKeyGROFPKPDWINGLX-UHFFFAOYSA-N
XLogP12.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
7-Ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
CID 711946
4-Cyclohexyl-2-phenylquinazoline
CID 23640938
2,4,9-Trimethylbenzo(b)(1,8)naphthyridin-5-amine
CID 698490
1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine
CID 865238
6-Methyl-7-(2-methylphenyl)quinazoline-2,4-diamine
CID 56662749
6-Methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine
CID 56673137
7-(2-Ethylphenyl)-6-methylquinazoline-2,4-diamine
CID 56683111
2,4-Diamino-5-[2-[2-naphthyl]ethyl]quinazoline
CID 588277
2,4-Dimethylbenzo[b][1,8]naphthyridin-5-amine
CID 780996
Dibenzo[b,g][1,8]naphthyridin-11-amine, 2,7-dimethyl-
CID 865239
2-(2-Methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 3235322

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline?
The IUPAC name of 2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline (CID 58518517) is 2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline.
What is the SMILES notation for 2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline?
The canonical SMILES for 2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline is c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccc6ccccc6n5)cc(-c5ccc6ccccc6n5)c4)n3)ccc2c1.
What is the InChIKey of 2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline?
The InChIKey is GROFPKPDWINGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-13-35-25-37(19-17-31(35)9-1)46-30-47(38-20-18-32-10-2-4-14-36(32)26-38)52-48(51-46)41-28-39(44-23-21-33-11-5-7-15-42(33)49-44)27-40(29-41)45-24-22-34-12-6-8-16-43(34)50-45/h1-30H.
What are the key properties of 2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline?
2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline has a molecular weight of 662.80 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-quinolin-2-ylphenyl]quinoline is sourced from PubChem (CID 58518517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).