4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine

C37H27N3 — CID 145302608

IUPAC4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine
SMILESC1=C(c2cccc(-c3cccnc3)c2)NC(c2ccccc2)N=C1c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C37H27N3/c1-2-10-27(11-3-1)37-39-35(24-36(40-37)33-16-7-14-30(23-33)34-17-8-20-38-25-34)32-15-6-13-29(22-32)31-19-18-26-9-4-5-12-28(26)21-31/h1-25,37,40H
InChIKeyKPJKGEMZATVEOR-UHFFFAOYSA-N
MW513.64 g/mol
LogP8.70
Rot. Bonds5

About 4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine

4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine (PubChem CID 145302608) has the molecular formula C37H27N3 and a molecular weight of 513.64 g/mol. Its IUPAC name is 4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine
PubChem CID145302608
Molecular FormulaC37H27N3
Molecular Weight513.64 g/mol
Exact Mass513.22
IUPAC Name4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine
SMILESC1=C(c2cccc(-c3cccnc3)c2)NC(c2ccccc2)N=C1c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C37H27N3/c1-2-10-27(11-3-1)37-39-35(24-36(40-37)33-16-7-14-30(23-33)34-17-8-20-38-25-34)32-15-6-13-29(22-32)31-19-18-26-9-4-5-12-28(26)21-31/h1-25,37,40H
InChIKeyKPJKGEMZATVEOR-UHFFFAOYSA-N
XLogP8.70
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[3-(2-naphthalen-1-yl-4-naphthalen-2-yl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]isoquinoline
CID 137255305
4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
CID 121477675
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
12-[3-(4,6-dinaphthalen-2-yl-1,2-dihydropyrimidin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 144942983
4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
CID 174243578
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine
CID 137302868
2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine
CID 142324617
2-[3-anthracen-2-yl-5-(1,2-dihydropyridin-6-yl)phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 118363110
2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
3-[7-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
CID 142487970
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine?
The IUPAC name of 4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine (CID 145302608) is 4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine?
The canonical SMILES for 4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine is C1=C(c2cccc(-c3cccnc3)c2)NC(c2ccccc2)N=C1c1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine?
The InChIKey is KPJKGEMZATVEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3/c1-2-10-27(11-3-1)37-39-35(24-36(40-37)33-16-7-14-30(23-33)34-17-8-20-38-25-34)32-15-6-13-29(22-32)31-19-18-26-9-4-5-12-28(26)21-31/h1-25,37,40H.
What are the key properties of 4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine?
4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine has a molecular weight of 513.64 g/mol, XLogP of 8.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 145302608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).