4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine

C32H21ClN2 — CID 171525545

IUPAC4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESClc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)c2ccccc2c1
InChIInChI=1S/C32H21ClN2/c33-27-19-26-13-7-8-14-28(26)29(20-27)31-21-30(34-32(35-31)25-11-5-2-6-12-25)24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-21H
InChIKeyOMYLBZKEVMYQPO-UHFFFAOYSA-N
MW468.99 g/mol
LogP8.95
Rot. Bonds4

About 4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine

4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 171525545) has the molecular formula C32H21ClN2 and a molecular weight of 468.99 g/mol. Its IUPAC name is 4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID171525545
Molecular FormulaC32H21ClN2
Molecular Weight468.99 g/mol
Exact Mass468.14
IUPAC Name4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESClc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)c2ccccc2c1
InChIInChI=1S/C32H21ClN2/c33-27-19-26-13-7-8-14-28(26)29(20-27)31-21-30(34-32(35-31)25-11-5-2-6-12-25)24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-21H
InChIKeyOMYLBZKEVMYQPO-UHFFFAOYSA-N
XLogP8.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.99
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909
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
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine
CID 126681895
4-(4-benzo[a]anthracen-7-ylnaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 167250433
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-chloro-6-phenanthren-9-yl-2-phenylpyrimidine
CID 118641062
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 171525545) is 4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is Clc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)c2ccccc2c1.
What is the InChIKey of 4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is OMYLBZKEVMYQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21ClN2/c33-27-19-26-13-7-8-14-28(26)29(20-27)31-21-30(34-32(35-31)25-11-5-2-6-12-25)24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-21H.
What are the key properties of 4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 468.99 g/mol, XLogP of 8.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 171525545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).