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

C36H28N4 — CID 130353291

IUPAC3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCc1cc(C)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C)c1-c1ncnc(-c2ccccc2)n1
InChIInChI=1S/C36H28N4/c1-23-20-24(2)34(25(3)33(23)36-38-22-37-35(39-36)27-14-8-5-9-15-27)40-31-17-11-10-16-29(31)30-21-28(18-19-32(30)40)26-12-6-4-7-13-26/h4-22H,1-3H3
InChIKeyIAOKIGOMMRFATB-UHFFFAOYSA-N
MW516.65 g/mol
LogP8.89
Rot. Bonds4

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

3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 130353291) has the molecular formula C36H28N4 and a molecular weight of 516.65 g/mol. Its IUPAC name is 3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID130353291
Molecular FormulaC36H28N4
Molecular Weight516.65 g/mol
Exact Mass516.23
IUPAC Name3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCc1cc(C)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C)c1-c1ncnc(-c2ccccc2)n1
InChIInChI=1S/C36H28N4/c1-23-20-24(2)34(25(3)33(23)36-38-22-37-35(39-36)27-14-8-5-9-15-27)40-31-17-11-10-16-29(31)30-21-28(18-19-32(30)40)26-12-6-4-7-13-26/h4-22H,1-3H3
InChIKeyIAOKIGOMMRFATB-UHFFFAOYSA-N
XLogP8.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole
CID 130353572
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
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
CID 118518202
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155138272
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 175101283

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 130353291) is 3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is Cc1cc(C)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C)c1-c1ncnc(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is IAOKIGOMMRFATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4/c1-23-20-24(2)34(25(3)33(23)36-38-22-37-35(39-36)27-14-8-5-9-15-27)40-31-17-11-10-16-29(31)30-21-28(18-19-32(30)40)26-12-6-4-7-13-26/h4-22H,1-3H3.
What are the key properties of 3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 516.65 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 130353291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).