4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine

C34H23ClN2 — CID 170004607

IUPAC4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESClc1ccccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C34H23ClN2/c35-31-14-8-7-13-30(31)26-17-19-28(20-18-26)33-23-32(27-11-5-2-6-12-27)36-34(37-33)29-21-15-25(16-22-29)24-9-3-1-4-10-24/h1-23H
InChIKeyJIRVTZPPCHRSII-UHFFFAOYSA-N
MW495.03 g/mol
LogP9.47
Rot. Bonds5

About 4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine

4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine (PubChem CID 170004607) has the molecular formula C34H23ClN2 and a molecular weight of 495.03 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
PubChem CID170004607
Molecular FormulaC34H23ClN2
Molecular Weight495.03 g/mol
Exact Mass494.15
IUPAC Name4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESClc1ccccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C34H23ClN2/c35-31-14-8-7-13-30(31)26-17-19-28(20-18-26)33-23-32(27-11-5-2-6-12-27)36-34(37-33)29-21-15-25(16-22-29)24-9-3-1-4-10-24/h1-23H
InChIKeyJIRVTZPPCHRSII-UHFFFAOYSA-N
XLogP9.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.03
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163852198
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171854007
2-(2-chlorophenyl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155151395
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-[3-[4-[2-(3,4-diphenylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163549585

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine (CID 170004607) is 4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine is Clc1ccccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is JIRVTZPPCHRSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClN2/c35-31-14-8-7-13-30(31)26-17-19-28(20-18-26)33-23-32(27-11-5-2-6-12-27)36-34(37-33)29-21-15-25(16-22-29)24-9-3-1-4-10-24/h1-23H.
What are the key properties of 4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine has a molecular weight of 495.03 g/mol, XLogP of 9.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 170004607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).