9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole

C35H29N7 — CID 137414587

IUPAC9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(C)nc(C)n3)cc2-c2nc(C)nc(C)n2)c1
InChIInChI=1S/C35H29N7/c1-20-9-8-10-25(17-20)26-13-15-32-29(18-26)28-11-6-7-12-31(28)42(32)33-16-14-27(34-38-21(2)36-22(3)39-34)19-30(33)35-40-23(4)37-24(5)41-35/h6-19H,1-5H3
InChIKeyNATVIZPQRHRYTA-UHFFFAOYSA-N
MW547.67 g/mol
LogP7.70
Rot. Bonds4

About 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole

9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole (PubChem CID 137414587) has the molecular formula C35H29N7 and a molecular weight of 547.67 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
PubChem CID137414587
Molecular FormulaC35H29N7
Molecular Weight547.67 g/mol
Exact Mass547.25
IUPAC Name9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(C)nc(C)n3)cc2-c2nc(C)nc(C)n2)c1
InChIInChI=1S/C35H29N7/c1-20-9-8-10-25(17-20)26-13-15-32-29(18-26)28-11-6-7-12-31(28)42(32)33-16-14-27(34-38-21(2)36-22(3)39-34)19-30(33)35-40-23(4)37-24(5)41-35/h6-19H,1-5H3
InChIKeyNATVIZPQRHRYTA-UHFFFAOYSA-N
XLogP7.70
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.67
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 163536109
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 155232297
9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 163586496
9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 155463188
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 138565345
3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139504246
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole
CID 159095382
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 137420844
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 155628027
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 159749477
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 155232239

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole?
The IUPAC name of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole (CID 137414587) is 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole.
What is the SMILES notation for 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole?
The canonical SMILES for 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(C)nc(C)n3)cc2-c2nc(C)nc(C)n2)c1.
What is the InChIKey of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole?
The InChIKey is NATVIZPQRHRYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N7/c1-20-9-8-10-25(17-20)26-13-15-32-29(18-26)28-11-6-7-12-31(28)42(32)33-16-14-27(34-38-21(2)36-22(3)39-34)19-30(33)35-40-23(4)37-24(5)41-35/h6-19H,1-5H3.
What are the key properties of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole?
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole has a molecular weight of 547.67 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole is sourced from PubChem (CID 137414587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).