2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine

C43H29N3 — CID 165168510

IUPAC2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6cccnc6)cc5)c5ccccc45)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C43H29N3/c1-3-11-30(12-4-1)34-15-9-16-35(27-34)41-28-42(46-43(45-41)33-13-5-2-6-14-33)40-25-24-37(38-18-7-8-19-39(38)40)32-22-20-31(21-23-32)36-17-10-26-44-29-36/h1-29H
InChIKeyZDTNASZKXMQVDP-UHFFFAOYSA-N
MW587.73 g/mol
LogP11.03
Rot. Bonds6

About 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine

2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine (PubChem CID 165168510) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
PubChem CID165168510
Molecular FormulaC43H29N3
Molecular Weight587.73 g/mol
Exact Mass587.24
IUPAC Name2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6cccnc6)cc5)c5ccccc45)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C43H29N3/c1-3-11-30(12-4-1)34-15-9-16-35(27-34)41-28-42(46-43(45-41)33-13-5-2-6-14-33)40-25-24-37(38-18-7-8-19-39(38)40)32-22-20-31(21-23-32)36-17-10-26-44-29-36/h1-29H
InChIKeyZDTNASZKXMQVDP-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-diphenyl-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 167597427
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 165168520
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130265025
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264228
2-phenyl-4-(4-phenylphenyl)-6-[4-(4-pyridin-3-ylnaphthalen-1-yl)naphthalen-1-yl]pyrimidine
CID 165168509
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
4-(4-fluoranthen-3-ylphenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264975
4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264413
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 121477553
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine
CID 121477401

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine?
The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine (CID 165168510) is 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine?
The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6cccnc6)cc5)c5ccccc45)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine?
The InChIKey is ZDTNASZKXMQVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c1-3-11-30(12-4-1)34-15-9-16-35(27-34)41-28-42(46-43(45-41)33-13-5-2-6-14-33)40-25-24-37(38-18-7-8-19-39(38)40)32-22-20-31(21-23-32)36-17-10-26-44-29-36/h1-29H.
What are the key properties of 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine?
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]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 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine is sourced from PubChem (CID 165168510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).