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

C56H39N3 — CID 146595047

IUPAC4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc45)cc(-c4cccc(-c5ccccc5)c4)nc3cc21
InChIInChI=1S/C56H39N3/c1-56(2)49-28-15-14-27-44(49)47-32-48-46(33-51(57-54(48)34-50(47)56)40-24-16-23-39(31-40)36-17-6-3-7-18-36)43-29-30-45(42-26-13-12-25-41(42)43)55-58-52(37-19-8-4-9-20-37)35-53(59-55)38-21-10-5-11-22-38/h3-35H,1-2H3
InChIKeyHXGUYYNIBBIEQH-UHFFFAOYSA-N
MW753.95 g/mol
LogP14.49
Rot. Bonds6

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

4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline (PubChem CID 146595047) has the molecular formula C56H39N3 and a molecular weight of 753.95 g/mol. Its IUPAC name is 4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline.

Molecular Properties

Compound Name4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline
PubChem CID146595047
Molecular FormulaC56H39N3
Molecular Weight753.95 g/mol
Exact Mass753.31
IUPAC Name4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc45)cc(-c4cccc(-c5ccccc5)c4)nc3cc21
InChIInChI=1S/C56H39N3/c1-56(2)49-28-15-14-27-44(49)47-32-48-46(33-51(57-54(48)34-50(47)56)40-24-16-23-39(31-40)36-17-6-3-7-18-36)43-29-30-45(42-26-13-12-25-41(42)43)55-58-52(37-19-8-4-9-20-37)35-53(59-55)38-21-10-5-11-22-38/h3-35H,1-2H3
InChIKeyHXGUYYNIBBIEQH-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

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Related Compounds

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
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-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 146594791
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)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
CID 137437839
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-(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)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 137437871
4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 146595057
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
CID 146595180

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline?
The IUPAC name of 4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline (CID 146595047) is 4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline.
What is the SMILES notation for 4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline?
The canonical SMILES for 4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc45)cc(-c4cccc(-c5ccccc5)c4)nc3cc21.
What is the InChIKey of 4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline?
The InChIKey is HXGUYYNIBBIEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3/c1-56(2)49-28-15-14-27-44(49)47-32-48-46(33-51(57-54(48)34-50(47)56)40-24-16-23-39(31-40)36-17-6-3-7-18-36)43-29-30-45(42-26-13-12-25-41(42)43)55-58-52(37-19-8-4-9-20-37)35-53(59-55)38-21-10-5-11-22-38/h3-35H,1-2H3.
What are the key properties of 4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline?
4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[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-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(3-phenylphenyl)indeno[1,2-g]quinoline is sourced from PubChem (CID 146595047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).