2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine

C37H25N3 — CID 165168371

IUPAC2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5cccnc5)c5ccccc5c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H25N3/c1-3-11-26(12-4-1)35-24-36(40-37(39-35)27-13-5-2-6-14-27)30-17-9-16-28(21-30)32-22-29-15-7-8-19-33(29)34(23-32)31-18-10-20-38-25-31/h1-25H
InChIKeyVPKXTWQBCHVNPL-UHFFFAOYSA-N
MW511.63 g/mol
LogP9.36
Rot. Bonds5

About 2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine

2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine (PubChem CID 165168371) has the molecular formula C37H25N3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
PubChem CID165168371
Molecular FormulaC37H25N3
Molecular Weight511.63 g/mol
Exact Mass511.20
IUPAC Name2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5cccnc5)c5ccccc5c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H25N3/c1-3-11-26(12-4-1)35-24-36(40-37(39-35)27-13-5-2-6-14-27)30-17-9-16-28(21-30)32-22-29-15-7-8-19-33(29)34(23-32)31-18-10-20-38-25-31/h1-25H
InChIKeyVPKXTWQBCHVNPL-UHFFFAOYSA-N
XLogP9.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(4-pyridin-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-(3-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 167541800
4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
CID 146382700
2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168264
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
2-(3-anthracen-9-ylphenyl)-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 135189619
4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 159291007
4-(4-benzo[c]phenanthren-5-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264179
4-[3-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 167411211
4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 167410665
2-(3-naphthalen-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 161484198
2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 160517437
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477583

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine (CID 165168371) is 2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cc(-c5cccnc5)c5ccccc5c4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine?
The InChIKey is VPKXTWQBCHVNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3/c1-3-11-26(12-4-1)35-24-36(40-37(39-35)27-13-5-2-6-14-27)30-17-9-16-28(21-30)32-22-29-15-7-8-19-33(29)34(23-32)31-18-10-20-38-25-31/h1-25H.
What are the key properties of 2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine?
2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine has a molecular weight of 511.63 g/mol, XLogP of 9.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 165168371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).