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

C55H38N4 — CID 146594791

IUPAC4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc56)c4)cc(-c4ccccc4)nc3cc21
InChIInChI=1S/C55H38N4/c1-55(2)48-28-15-14-27-43(48)46-32-47-45(33-50(35-17-6-3-7-18-35)56-51(47)34-49(46)55)39-24-16-23-38(31-39)40-29-30-44(42-26-13-12-25-41(40)42)54-58-52(36-19-8-4-9-20-36)57-53(59-54)37-21-10-5-11-22-37/h3-34H,1-2H3
InChIKeyBIZIODTVXDBCML-UHFFFAOYSA-N
MW754.94 g/mol
LogP13.88
Rot. Bonds6

About 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

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 (PubChem CID 146594791) has the molecular formula C55H38N4 and a molecular weight of 754.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
PubChem CID146594791
Molecular FormulaC55H38N4
Molecular Weight754.94 g/mol
Exact Mass754.31
IUPAC Name4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc56)c4)cc(-c4ccccc4)nc3cc21
InChIInChI=1S/C55H38N4/c1-55(2)48-28-15-14-27-43(48)46-32-47-45(33-50(35-17-6-3-7-18-35)56-51(47)34-49(46)55)39-24-16-23-38(31-39)40-29-30-44(42-26-13-12-25-41(40)42)54-58-52(36-19-8-4-9-20-36)57-53(59-54)37-21-10-5-11-22-37/h3-34H,1-2H3
InChIKeyBIZIODTVXDBCML-UHFFFAOYSA-N
XLogP13.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.94
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 137437836
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-[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-(2-phenylphenyl)indeno[1,2-g]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(2-phenylphenyl)indeno[1,2-g]quinoline
CID 158004827
10,10-dimethyl-2-(3-phenylphenyl)-4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[1,2-g]quinoline
CID 146594763
4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 146595308
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-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-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc56)c4)cc(-c4ccccc4)nc3cc21.
What is the InChIKey of 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?
The InChIKey is BIZIODTVXDBCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4/c1-55(2)48-28-15-14-27-43(48)46-32-47-45(33-50(35-17-6-3-7-18-35)56-51(47)34-49(46)55)39-24-16-23-38(31-39)40-29-30-44(42-26-13-12-25-41(40)42)54-58-52(36-19-8-4-9-20-36)57-53(59-54)37-21-10-5-11-22-37/h3-34H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 754.94 g/mol, XLogP of 13.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146594791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).