4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine

C43H29N3 — CID 121384390

IUPAC4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)cc2)cc1
InChIInChI=1S/C43H29N3/c1-2-7-30(8-3-1)32-16-23-37(24-17-32)43-45-41(28-42(46-43)36-21-14-34(15-22-36)40-11-6-26-44-29-40)35-19-12-33(13-20-35)39-25-18-31-9-4-5-10-38(31)27-39/h1-29H
InChIKeyROVCVHDNZIDQHO-UHFFFAOYSA-N
MW587.73 g/mol
LogP11.03
Rot. Bonds6

About 4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine

4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 121384390) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID121384390
Molecular FormulaC43H29N3
Molecular Weight587.73 g/mol
Exact Mass587.24
IUPAC Name4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)cc2)cc1
InChIInChI=1S/C43H29N3/c1-2-7-30(8-3-1)32-16-23-37(24-17-32)43-45-41(28-42(46-43)36-21-14-34(15-22-36)40-11-6-26-44-29-40)35-19-12-33(13-20-35)39-25-18-31-9-4-5-10-38(31)27-39/h1-29H
InChIKeyROVCVHDNZIDQHO-UHFFFAOYSA-N
XLogP11.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2,4-dinaphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 122416192
4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263766
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine;4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 160782848
2-[3,5-di(anthracen-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 142369921
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
7-[3-[6-phenyl-2-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidin-4-yl]phenyl]isoquinoline
CID 166974763
2,6-dinaphthalen-2-yl-4-(4-pyridin-3-ylphenyl)pyridine
CID 122427561
2-[3-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]-9-(4-naphthalen-2-ylphenyl)-1,10-phenanthroline
CID 134167649
4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
CID 146382700

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 121384390) is 4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)cc2)cc1.
What is the InChIKey of 4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is ROVCVHDNZIDQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c1-2-7-30(8-3-1)32-16-23-37(24-17-32)43-45-41(28-42(46-43)36-21-14-34(15-22-36)40-11-6-26-44-29-40)35-19-12-33(13-20-35)39-25-18-31-9-4-5-10-38(31)27-39/h1-29H.
What are the key properties of 4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 587.73 g/mol, XLogP of 11.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 121384390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).