4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine

C47H29ClN2O2 — CID 138576055

IUPAC4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine
SMILESClc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)n2)c1
InChIInChI=1S/C47H29ClN2O2/c48-34-21-12-16-31(28-34)40-29-39(30-14-4-1-5-15-30)49-46(50-40)36-23-13-25-41-44(36)52-45-42(51-41)27-26-38-43(45)35-22-10-11-24-37(35)47(38,32-17-6-2-7-18-32)33-19-8-3-9-20-33/h1-29H
InChIKeyZFNXCGDWHCCMRE-UHFFFAOYSA-N
MW689.21 g/mol
LogP12.39
Rot. Bonds5

About 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine

4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine (PubChem CID 138576055) has the molecular formula C47H29ClN2O2 and a molecular weight of 689.21 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine
PubChem CID138576055
Molecular FormulaC47H29ClN2O2
Molecular Weight689.21 g/mol
Exact Mass688.19
IUPAC Name4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine
SMILESClc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)n2)c1
InChIInChI=1S/C47H29ClN2O2/c48-34-21-12-16-31(28-34)40-29-39(30-14-4-1-5-15-30)49-46(50-40)36-23-13-25-41-44(36)52-45-42(51-41)27-26-38-43(45)35-22-10-11-24-37(35)47(38,32-17-6-2-7-18-32)33-19-8-3-9-20-33/h1-29H
InChIKeyZFNXCGDWHCCMRE-UHFFFAOYSA-N
XLogP12.39
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.21
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 142561006
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 138575109
2-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 138575631
9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138574944
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 138575816
2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 138575639
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575666
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575186
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575105
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575578
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 138575034

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine?
The IUPAC name of 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine (CID 138576055) is 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine is Clc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)n2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine?
The InChIKey is ZFNXCGDWHCCMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29ClN2O2/c48-34-21-12-16-31(28-34)40-29-39(30-14-4-1-5-15-30)49-46(50-40)36-23-13-25-41-44(36)52-45-42(51-41)27-26-38-43(45)35-22-10-11-24-37(35)47(38,32-17-6-2-7-18-32)33-19-8-3-9-20-33/h1-29H.
What are the key properties of 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine?
4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine has a molecular weight of 689.21 g/mol, XLogP of 12.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine is sourced from PubChem (CID 138576055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).