4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine

C42H27ClN2 — CID 167485118

IUPAC4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
SMILESClc1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27ClN2/c43-33-25-23-29(24-26-33)39-27-38(44-42(45-39)32-13-5-2-6-14-32)28-19-21-31(22-20-28)41-36-17-9-7-15-34(36)40(30-11-3-1-4-12-30)35-16-8-10-18-37(35)41/h1-27H
InChIKeyMXPOZOUMEYVMKW-UHFFFAOYSA-N
MW595.15 g/mol
LogP11.77
Rot. Bonds5

About 4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine

4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine (PubChem CID 167485118) has the molecular formula C42H27ClN2 and a molecular weight of 595.15 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
PubChem CID167485118
Molecular FormulaC42H27ClN2
Molecular Weight595.15 g/mol
Exact Mass594.19
IUPAC Name4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
SMILESClc1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27ClN2/c43-33-25-23-29(24-26-33)39-27-38(44-42(45-39)32-13-5-2-6-14-32)28-19-21-31(22-20-28)41-36-17-9-7-15-34(36)40(30-11-3-1-4-12-30)35-16-8-10-18-37(35)41/h1-27H
InChIKeyMXPOZOUMEYVMKW-UHFFFAOYSA-N
XLogP11.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.15
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171525545
4,6-diphenyl-2-[4-(7-phenylbenzo[a]anthracen-12-yl)phenyl]pyrimidine
CID 164799714
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2,6-diphenylpyrimidine
CID 59722052
2-[4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 156545444
4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine
CID 59722112
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenylbenzo[g]quinoline
CID 139364076
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632391
2,4-diphenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 58454367

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine (CID 167485118) is 4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine is Clc1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine?
The InChIKey is MXPOZOUMEYVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27ClN2/c43-33-25-23-29(24-26-33)39-27-38(44-42(45-39)32-13-5-2-6-14-32)28-19-21-31(22-20-28)41-36-17-9-7-15-34(36)40(30-11-3-1-4-12-30)35-16-8-10-18-37(35)41/h1-27H.
What are the key properties of 4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine?
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine has a molecular weight of 595.15 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine is sourced from PubChem (CID 167485118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).