11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole

C36H30N4 — CID 166961471

IUPAC11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(C4N=C(c5ccccc5)NC(c5ccccc5)N4)c3c21
InChIInChI=1S/C36H30N4/c1-36(2)29-19-11-9-17-25(29)27-21-22-28-26-18-10-12-20-30(26)40(32(28)31(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3-22,33,35,38H,1-2H3,(H,37,39)
InChIKeyYQQZQBDHLDGFHY-UHFFFAOYSA-N
MW518.66 g/mol
LogP7.90
Rot. Bonds3

About 11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole

11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole (PubChem CID 166961471) has the molecular formula C36H30N4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole
PubChem CID166961471
Molecular FormulaC36H30N4
Molecular Weight518.66 g/mol
Exact Mass518.25
IUPAC Name11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(C4N=C(c5ccccc5)NC(c5ccccc5)N4)c3c21
InChIInChI=1S/C36H30N4/c1-36(2)29-19-11-9-17-25(29)27-21-22-28-26-18-10-12-20-30(26)40(32(28)31(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3-22,33,35,38H,1-2H3,(H,37,39)
InChIKeyYQQZQBDHLDGFHY-UHFFFAOYSA-N
XLogP7.90
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 130181306
12-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 145085542
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
CID 129312385
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 121343822
11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole
CID 129311945
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole
CID 144976207
3-(4,6-diphenyl-1,2-dihydroquinazolin-2-yl)-15,15-dimethyl-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 129295251
12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 144548979

Frequently Asked Questions

What is the IUPAC name of 11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole?
The IUPAC name of 11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole (CID 166961471) is 11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole?
The canonical SMILES for 11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(C4N=C(c5ccccc5)NC(c5ccccc5)N4)c3c21.
What is the InChIKey of 11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole?
The InChIKey is YQQZQBDHLDGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4/c1-36(2)29-19-11-9-17-25(29)27-21-22-28-26-18-10-12-20-30(26)40(32(28)31(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3-22,33,35,38H,1-2H3,(H,37,39).
What are the key properties of 11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole?
11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole has a molecular weight of 518.66 g/mol, XLogP of 7.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole is sourced from PubChem (CID 166961471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).