4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline

C52H37N3 — CID 146595308

IUPAC4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)n4)cc(-c4ccccc4)nc3cc21
InChIInChI=1S/C52H37N3/c1-52(2)45-27-13-12-26-41(45)42-30-43-44(31-47(36-20-10-5-11-21-36)53-50(43)32-46(42)52)51-54-48(39-24-14-22-37(28-39)34-16-6-3-7-17-34)33-49(55-51)40-25-15-23-38(29-40)35-18-8-4-9-19-35/h3-33H,1-2H3
InChIKeyWZFMAFYBLYWMRH-UHFFFAOYSA-N
MW703.89 g/mol
LogP13.33
Rot. Bonds6

About 4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline

4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline (PubChem CID 146595308) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline.

Molecular Properties

Compound Name4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
PubChem CID146595308
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)n4)cc(-c4ccccc4)nc3cc21
InChIInChI=1S/C52H37N3/c1-52(2)45-27-13-12-26-41(45)42-30-43-44(31-47(36-20-10-5-11-21-36)53-50(43)32-46(42)52)51-54-48(39-24-14-22-37(28-39)34-16-6-3-7-17-34)33-49(55-51)40-25-15-23-38(29-40)35-18-8-4-9-19-35/h3-33H,1-2H3
InChIKeyWZFMAFYBLYWMRH-UHFFFAOYSA-N
XLogP13.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10,10-dimethyl-2-(3-phenylphenyl)-4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[1,2-g]quinoline
CID 146594763
4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline
CID 146595047
10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline
CID 146595217
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
CID 137437839
4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline
CID 146595098
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 137437871
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 146594791
4-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 146595085
4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 146595057
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 137437836
10,10-dimethyl-2-(3-methylphenyl)-4-phenylindeno[1,2-g]quinoline
CID 138592599
2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 167344461

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?
The IUPAC name of 4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline (CID 146595308) is 4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline.
What is the SMILES notation for 4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?
The canonical SMILES for 4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)n4)cc(-c4ccccc4)nc3cc21.
What is the InChIKey of 4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?
The InChIKey is WZFMAFYBLYWMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-52(2)45-27-13-12-26-41(45)42-30-43-44(31-47(36-20-10-5-11-21-36)53-50(43)32-46(42)52)51-54-48(39-24-14-22-37(28-39)34-16-6-3-7-17-34)33-49(55-51)40-25-15-23-38(29-40)35-18-8-4-9-19-35/h3-33H,1-2H3.
What are the key properties of 4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?
4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline has a molecular weight of 703.89 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline is sourced from PubChem (CID 146595308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).