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

C34H27N7 — CID 137414472

IUPAC9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
SMILESCc1nc(C)nc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-c3nc(C)nc(C)n3)c2)n1
InChIInChI=1S/C34H27N7/c1-20-35-21(2)38-33(37-20)26-15-17-32(29(19-26)34-39-22(3)36-23(4)40-34)41-30-13-9-8-12-27(30)28-18-25(14-16-31(28)41)24-10-6-5-7-11-24/h5-19H,1-4H3
InChIKeyKNMCZXFYZNBNPM-UHFFFAOYSA-N
MW533.64 g/mol
LogP7.39
Rot. Bonds4

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

9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole (PubChem CID 137414472) has the molecular formula C34H27N7 and a molecular weight of 533.64 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
PubChem CID137414472
Molecular FormulaC34H27N7
Molecular Weight533.64 g/mol
Exact Mass533.23
IUPAC Name9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
SMILESCc1nc(C)nc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-c3nc(C)nc(C)n3)c2)n1
InChIInChI=1S/C34H27N7/c1-20-35-21(2)38-33(37-20)26-15-17-32(29(19-26)34-39-22(3)36-23(4)40-34)41-30-13-9-8-12-27(30)28-18-25(14-16-31(28)41)24-10-6-5-7-11-24/h5-19H,1-4H3
InChIKeyKNMCZXFYZNBNPM-UHFFFAOYSA-N
XLogP7.39
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.64
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 137414587
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
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421119
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 137414540
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-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414597
9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 137420761
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-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155232271
3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161333862

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole (CID 137414472) is 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole is Cc1nc(C)nc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-c3nc(C)nc(C)n3)c2)n1.
What is the InChIKey of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole?
The InChIKey is KNMCZXFYZNBNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N7/c1-20-35-21(2)38-33(37-20)26-15-17-32(29(19-26)34-39-22(3)36-23(4)40-34)41-30-13-9-8-12-27(30)28-18-25(14-16-31(28)41)24-10-6-5-7-11-24/h5-19H,1-4H3.
What are the key properties of 9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole?
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole has a molecular weight of 533.64 g/mol, XLogP of 7.39, 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-phenylcarbazole is sourced from PubChem (CID 137414472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).