4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline

C56H39N3 — CID 146595098

IUPAC4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)cc4)cc(-c4cccc5ccccc45)nc3cc21
InChIInChI=1S/C56H39N3/c1-56(2)49-26-12-11-24-44(49)47-32-48-46(33-53(57-54(48)34-50(47)56)45-25-14-20-37-15-9-10-23-43(37)45)38-29-27-36(28-30-38)41-21-13-22-42(31-41)55-58-51(39-16-5-3-6-17-39)35-52(59-55)40-18-7-4-8-19-40/h3-35H,1-2H3
InChIKeyKFMQGWSXDAGHSL-UHFFFAOYSA-N
MW753.95 g/mol
LogP14.49
Rot. Bonds6

About 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline

4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline (PubChem CID 146595098) has the molecular formula C56H39N3 and a molecular weight of 753.95 g/mol. Its IUPAC name is 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline.

Molecular Properties

Compound Name4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline
PubChem CID146595098
Molecular FormulaC56H39N3
Molecular Weight753.95 g/mol
Exact Mass753.31
IUPAC Name4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)cc4)cc(-c4cccc5ccccc45)nc3cc21
InChIInChI=1S/C56H39N3/c1-56(2)49-26-12-11-24-44(49)47-32-48-46(33-53(57-54(48)34-50(47)56)45-25-14-20-37-15-9-10-23-43(37)45)38-29-27-36(28-30-38)41-21-13-22-42(31-41)55-58-51(39-16-5-3-6-17-39)35-52(59-55)40-18-7-4-8-19-40/h3-35H,1-2H3
InChIKeyKFMQGWSXDAGHSL-UHFFFAOYSA-N
XLogP14.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline 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-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline
CID 146595079
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-diphenylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-naphthalen-2-ylindeno[1,2-g]quinoline;4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
CID 159232180
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-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline;4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline;4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-(2-phenylphenyl)indeno[1,2-g]quinoline;4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline
CID 158456195
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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylnaphthalen-1-yl)indeno[1,2-g]quinoline
CID 146595020
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168778898
4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 146595308
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-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 137437836
4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777678

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline?
The IUPAC name of 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline (CID 146595098) is 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline.
What is the SMILES notation for 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline?
The canonical SMILES for 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)cc4)cc(-c4cccc5ccccc45)nc3cc21.
What is the InChIKey of 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline?
The InChIKey is KFMQGWSXDAGHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3/c1-56(2)49-26-12-11-24-44(49)47-32-48-46(33-53(57-54(48)34-50(47)56)45-25-14-20-37-15-9-10-23-43(37)45)38-29-27-36(28-30-38)41-21-13-22-42(31-41)55-58-51(39-16-5-3-6-17-39)35-52(59-55)40-18-7-4-8-19-40/h3-35H,1-2H3.
What are the key properties of 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline?
4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline has a molecular weight of 753.95 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline is sourced from PubChem (CID 146595098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).