10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline

C39H28N4 — CID 139567232

IUPAC10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21
InChIInChI=1S/C39H28N4/c1-39(2)31-19-11-9-17-29(31)35-34(39)33(30-18-10-12-20-32(30)40-35)25-21-23-28(24-22-25)38-42-36(26-13-5-3-6-14-26)41-37(43-38)27-15-7-4-8-16-27/h3-24H,1-2H3
InChIKeyZSCQBKDSALQFIQ-UHFFFAOYSA-N
MW552.68 g/mol
LogP9.39
Rot. Bonds4

About 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline (PubChem CID 139567232) has the molecular formula C39H28N4 and a molecular weight of 552.68 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline.

Molecular Properties

Compound Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline
PubChem CID139567232
Molecular FormulaC39H28N4
Molecular Weight552.68 g/mol
Exact Mass552.23
IUPAC Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21
InChIInChI=1S/C39H28N4/c1-39(2)31-19-11-9-17-29(31)35-34(39)33(30-18-10-12-20-32(30)40-35)25-21-23-28(24-22-25)38-42-36(26-13-5-3-6-14-26)41-37(43-38)27-15-7-4-8-16-27/h3-24H,1-2H3
InChIKeyZSCQBKDSALQFIQ-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
CID 139567371
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 139567433
11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline
CID 139567240
11,11-dimethyl-10-(4-pyridin-2-ylphenyl)indeno[1,2-b]quinoline
CID 139567195
11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline
CID 162138563
10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567372
11,11-dimethyl-10-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]indeno[1,2-b]quinoline
CID 139567389
11,11-dimethyl-10-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]indeno[1,2-b]quinoline
CID 139567439
11,11-dimethyl-10-[4-(4-pyridin-3-ylphenyl)phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-(4-pyridin-4-ylphenyl)phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-(4-quinolin-3-ylphenyl)phenyl]indeno[1,2-b]quinoline
CID 158121808
3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 139567233
11,11-dimethyl-10-[4-(7-pyrazin-2-yltriphenylen-2-yl)phenyl]indeno[1,2-b]quinoline
CID 139567278
2-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165152188

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline?
The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline (CID 139567232) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline.
What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline?
The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline is CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.
What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline?
The InChIKey is ZSCQBKDSALQFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4/c1-39(2)31-19-11-9-17-29(31)35-34(39)33(30-18-10-12-20-32(30)40-35)25-21-23-28(24-22-25)38-42-36(26-13-5-3-6-14-26)41-37(43-38)27-15-7-4-8-16-27/h3-24H,1-2H3.
What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline?
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline has a molecular weight of 552.68 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline is sourced from PubChem (CID 139567232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).