10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one

C42H28N2O — CID 155281653

IUPAC10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one
SMILESO=C1c2ccccc2C(c2ccccc2)(c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C42H28N2O/c45-40-32-22-10-13-25-35(32)42(31-20-8-3-9-21-31,36-26-14-11-23-33(36)40)37-27-15-12-24-34(37)41-43-38(29-16-4-1-5-17-29)28-39(44-41)30-18-6-2-7-19-30/h1-28H
InChIKeyGEEJBRZRQCZCGC-UHFFFAOYSA-N
MW576.70 g/mol
LogP9.40
Rot. Bonds5

About 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one

10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one (PubChem CID 155281653) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one.

Molecular Properties

Compound Name10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one
PubChem CID155281653
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one
SMILESO=C1c2ccccc2C(c2ccccc2)(c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C42H28N2O/c45-40-32-22-10-13-25-35(32)42(31-20-8-3-9-21-31,36-26-14-11-23-33(36)40)37-27-15-12-24-34(37)41-43-38(29-16-4-1-5-17-29)28-39(44-41)30-18-6-2-7-19-30/h1-28H
InChIKeyGEEJBRZRQCZCGC-UHFFFAOYSA-N
XLogP9.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one
CID 155281474
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one
CID 158070699
2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 146367918
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylanthracen-9-one
CID 155281518
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134272105
2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168780032
2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146367748
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779478
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
CID 137413883
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine
CID 154995544

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one?
The IUPAC name of 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one (CID 155281653) is 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one.
What is the SMILES notation for 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one?
The canonical SMILES for 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one is O=C1c2ccccc2C(c2ccccc2)(c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one?
The InChIKey is GEEJBRZRQCZCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c45-40-32-22-10-13-25-35(32)42(31-20-8-3-9-21-31,36-26-14-11-23-33(36)40)37-27-15-12-24-34(37)41-43-38(29-16-4-1-5-17-29)28-39(44-41)30-18-6-2-7-19-30/h1-28H.
What are the key properties of 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one?
10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one has a molecular weight of 576.70 g/mol, XLogP of 9.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one is sourced from PubChem (CID 155281653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).