9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole

C35H26N4 — CID 118518202

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C35H26N4/c1-23-21-27(22-24(2)32(23)39-30-19-11-9-17-28(30)29-18-10-12-20-31(29)39)35-37-33(25-13-5-3-6-14-25)36-34(38-35)26-15-7-4-8-16-26/h3-22H,1-2H3
InChIKeyCEWVZHDJGNPLJF-UHFFFAOYSA-N
MW502.62 g/mol
LogP8.59
Rot. Bonds4

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole (PubChem CID 118518202) has the molecular formula C35H26N4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
PubChem CID118518202
Molecular FormulaC35H26N4
Molecular Weight502.62 g/mol
Exact Mass502.22
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C35H26N4/c1-23-21-27(22-24(2)32(23)39-30-19-11-9-17-28(30)29-18-10-12-20-31(29)39)35-37-33(25-13-5-3-6-14-25)36-34(38-35)26-15-7-4-8-16-26/h3-22H,1-2H3
InChIKeyCEWVZHDJGNPLJF-UHFFFAOYSA-N
XLogP8.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581
2-carbazol-9-yl-7-(8-carbazol-9-yldibenzothiophen-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
CID 88878728
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diisocyanophenyl]carbazole
CID 140903292
9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 177087593
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole
CID 155450728
9-[3-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142508176
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163419363
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole
CID 166509952
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
CID 130352928
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole (CID 118518202) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole?
The InChIKey is CEWVZHDJGNPLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N4/c1-23-21-27(22-24(2)32(23)39-30-19-11-9-17-28(30)29-18-10-12-20-31(29)39)35-37-33(25-13-5-3-6-14-25)36-34(38-35)26-15-7-4-8-16-26/h3-22H,1-2H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole has a molecular weight of 502.62 g/mol, XLogP of 8.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole is sourced from PubChem (CID 118518202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).