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

C51H36N4 — CID 137437839

IUPAC4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(-c4ccc(-c5ccccc5)cc4)nc3cc21
InChIInChI=1S/C51H36N4/c1-51(2)44-24-13-12-23-40(44)42-30-43-41(31-46(52-47(43)32-45(42)51)35-27-25-34(26-28-35)33-15-6-3-7-16-33)38-21-14-22-39(29-38)50-54-48(36-17-8-4-9-18-36)53-49(55-50)37-19-10-5-11-20-37/h3-32H,1-2H3
InChIKeyXGXLWIJIWBUTOH-UHFFFAOYSA-N
MW704.88 g/mol
LogP12.73
Rot. Bonds6

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

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline (PubChem CID 137437839) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
PubChem CID137437839
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(-c4ccc(-c5ccccc5)cc4)nc3cc21
InChIInChI=1S/C51H36N4/c1-51(2)44-24-13-12-23-40(44)42-30-43-41(31-46(52-47(43)32-45(42)51)35-27-25-34(26-28-35)33-15-6-3-7-16-33)38-21-14-22-39(29-38)50-54-48(36-17-8-4-9-18-36)53-49(55-50)37-19-10-5-11-20-37/h3-32H,1-2H3
InChIKeyXGXLWIJIWBUTOH-UHFFFAOYSA-N
XLogP12.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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)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-(4,6-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-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-(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
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-[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-(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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline?
The IUPAC name of 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) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline.
What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline?
The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(-c4ccc(-c5ccccc5)cc4)nc3cc21.
What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline?
The InChIKey is XGXLWIJIWBUTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4/c1-51(2)44-24-13-12-23-40(44)42-30-43-41(31-46(52-47(43)32-45(42)51)35-27-25-34(26-28-35)33-15-6-3-7-16-33)38-21-14-22-39(29-38)50-54-48(36-17-8-4-9-18-36)53-49(55-50)37-19-10-5-11-20-37/h3-32H,1-2H3.
What are the key properties of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline?
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline has a molecular weight of 704.88 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline is sourced from PubChem (CID 137437839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).