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

C38H32N4 — CID 130353572

IUPAC9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole
SMILESCc1cc(C)cc(-c2ncnc(-c3c(C)cc(C)c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3C)n2)c1
InChIInChI=1S/C38H32N4/c1-23-17-24(2)19-30(18-23)37-39-22-40-38(41-37)35-25(3)20-26(4)36(27(35)5)42-33-14-10-9-13-31(33)32-21-29(15-16-34(32)42)28-11-7-6-8-12-28/h6-22H,1-5H3
InChIKeyNNJAGHGXUJJHSV-UHFFFAOYSA-N
MW544.70 g/mol
LogP9.51
Rot. Bonds4

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

9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole (PubChem CID 130353572) has the molecular formula C38H32N4 and a molecular weight of 544.70 g/mol. Its IUPAC name is 9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole
PubChem CID130353572
Molecular FormulaC38H32N4
Molecular Weight544.70 g/mol
Exact Mass544.26
IUPAC Name9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole
SMILESCc1cc(C)cc(-c2ncnc(-c3c(C)cc(C)c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3C)n2)c1
InChIInChI=1S/C38H32N4/c1-23-17-24(2)19-30(18-23)37-39-22-40-38(41-37)35-25(3)20-26(4)36(27(35)5)42-33-14-10-9-13-31(33)32-21-29(15-16-34(32)42)28-11-7-6-8-12-28/h6-22H,1-5H3
InChIKeyNNJAGHGXUJJHSV-UHFFFAOYSA-N
XLogP9.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130353291
3-methyl-6-phenyl-9-[2,4,6-trimethyl-3-(1,3,5-triazin-2-yl)phenyl]carbazole
CID 130353275
3-methoxy-6-phenyl-9-[2,4,6-trimethyl-3-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130353857
9-[3-[4-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-methoxycarbazole
CID 130354687
9-[2,6-dimethyl-4-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-6-(2,3,5,6-tetramethylphenyl)carbazole
CID 130354747
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146281302
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
CID 118518202
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
CID 159928100
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 158648184
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 161070492

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole?
The IUPAC name of 9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole (CID 130353572) is 9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole is Cc1cc(C)cc(-c2ncnc(-c3c(C)cc(C)c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3C)n2)c1.
What is the InChIKey of 9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole?
The InChIKey is NNJAGHGXUJJHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4/c1-23-17-24(2)19-30(18-23)37-39-22-40-38(41-37)35-25(3)20-26(4)36(27(35)5)42-33-14-10-9-13-31(33)32-21-29(15-16-34(32)42)28-11-7-6-8-12-28/h6-22H,1-5H3.
What are the key properties of 9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole?
9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole has a molecular weight of 544.70 g/mol, XLogP of 9.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole is sourced from PubChem (CID 130353572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).