2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine

C43H29N3 — CID 129292668

IUPAC2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4ccc5ccccc5c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H29N3/c1-3-11-32(12-4-1)41-28-40(29-42(46-41)33-13-5-2-6-14-33)39-26-37(31-16-19-34(20-17-31)43-44-22-9-23-45-43)25-38(27-39)36-21-18-30-10-7-8-15-35(30)24-36/h1-29H
InChIKeyRXYMVZANIMFEMW-UHFFFAOYSA-N
MW587.73 g/mol
LogP11.03
Rot. Bonds6

About 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine

2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine (PubChem CID 129292668) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine
PubChem CID129292668
Molecular FormulaC43H29N3
Molecular Weight587.73 g/mol
Exact Mass587.24
IUPAC Name2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4ccc5ccccc5c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H29N3/c1-3-11-32(12-4-1)41-28-40(29-42(46-41)33-13-5-2-6-14-33)39-26-37(31-16-19-34(20-17-31)43-44-22-9-23-45-43)25-38(27-39)36-21-18-30-10-7-8-15-35(30)24-36/h1-29H
InChIKeyRXYMVZANIMFEMW-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-[3-[3-[2-phenyl-6-[3-[3-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]pyrimidine
CID 121311713
2-[3-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrimidine
CID 129292675
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
2-[4-[7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine;4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 165013839
2-[3-(2,6-diphenyl-4-pyridinyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 158243119
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 58382639
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine
CID 130355484
2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58943606
2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine
CID 129292620
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
4,6-dimethyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrimidine;2-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-4,6-dimethylpyrimidine;2-[4-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-4,6-dimethylpyrimidine;2-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]-4,6-dimethylpyrimidine;2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-4,6-dimethylpyrimidine;2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 158579078

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine?
The IUPAC name of 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine (CID 129292668) is 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine.
What is the SMILES notation for 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine?
The canonical SMILES for 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4ccc5ccccc5c4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine?
The InChIKey is RXYMVZANIMFEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c1-3-11-32(12-4-1)41-28-40(29-42(46-41)33-13-5-2-6-14-33)39-26-37(31-16-19-34(20-17-31)43-44-22-9-23-45-43)25-38(27-39)36-21-18-30-10-7-8-15-35(30)24-36/h1-29H.
What are the key properties of 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine?
2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]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-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine is sourced from PubChem (CID 129292668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).