4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline

C45H32N4 — CID 137437836

IUPAC4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4ccccc4)nc3cc21
InChIInChI=1S/C45H32N4/c1-45(2)38-21-13-12-20-34(38)36-26-37-35(27-40(30-14-6-3-7-15-30)46-41(37)28-39(36)45)29-22-24-33(25-23-29)44-48-42(31-16-8-4-9-17-31)47-43(49-44)32-18-10-5-11-19-32/h3-28H,1-2H3
InChIKeyMKKJGQBOLNMUET-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.06
Rot. Bonds5

About 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline (PubChem CID 137437836) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline.

Molecular Properties

Compound Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
PubChem CID137437836
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4ccccc4)nc3cc21
InChIInChI=1S/C45H32N4/c1-45(2)38-21-13-12-20-34(38)36-26-37-35(27-40(30-14-6-3-7-15-30)46-41(37)28-39(36)45)29-22-24-33(25-23-29)44-48-42(31-16-8-4-9-17-31)47-43(49-44)32-18-10-5-11-19-32/h3-28H,1-2H3
InChIKeyMKKJGQBOLNMUET-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline with MolForge

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Related Compounds

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)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 137437871
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
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-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
CID 146595180
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
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-[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-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline
CID 146595098
10,10-dimethyl-2-(3-methylphenyl)-4-phenylindeno[1,2-g]quinoline
CID 138592599
4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 146595057
4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 146595308

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?
The IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline (CID 137437836) is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline.
What is the SMILES notation for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?
The canonical SMILES for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4ccccc4)nc3cc21.
What is the InChIKey of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?
The InChIKey is MKKJGQBOLNMUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-45(2)38-21-13-12-20-34(38)36-26-37-35(27-40(30-14-6-3-7-15-30)46-41(37)28-39(36)45)29-22-24-33(25-23-29)44-48-42(31-16-8-4-9-17-31)47-43(49-44)32-18-10-5-11-19-32/h3-28H,1-2H3.
What are the key properties of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline has a molecular weight of 628.78 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline is sourced from PubChem (CID 137437836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).