9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole

C41H38N4 — CID 170007998

IUPAC9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
SMILESCC(C)(C)c1nc(-c2ccccc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc(C(C)(C)C)n1
InChIInChI=1S/C41H38N4/c1-40(2,3)38-42-37(43-39(44-38)41(4,5)6)31-19-13-14-20-34(31)45-35-23-21-29(27-15-9-7-10-16-27)25-32(35)33-26-30(22-24-36(33)45)28-17-11-8-12-18-28/h7-26H,1-6H3
InChIKeyWKKHOMQSUYMZIB-UHFFFAOYSA-N
MW586.78 g/mol
LogP10.56
Rot. Bonds4

About 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole

9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole (PubChem CID 170007998) has the molecular formula C41H38N4 and a molecular weight of 586.78 g/mol. Its IUPAC name is 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
PubChem CID170007998
Molecular FormulaC41H38N4
Molecular Weight586.78 g/mol
Exact Mass586.31
IUPAC Name9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
SMILESCC(C)(C)c1nc(-c2ccccc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc(C(C)(C)C)n1
InChIInChI=1S/C41H38N4/c1-40(2,3)38-42-37(43-39(44-38)41(4,5)6)31-19-13-14-20-34(31)45-35-23-21-29(27-15-9-7-10-16-27)25-32(35)33-26-30(22-24-36(33)45)28-17-11-8-12-18-28/h7-26H,1-6H3
InChIKeyWKKHOMQSUYMZIB-UHFFFAOYSA-N
XLogP10.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.78
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 170008009
3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 177108817
5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170007620
9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155636664
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 155636561
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole
CID 174243956
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113366
9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
CID 167285139
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 137414540
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole
CID 164971938

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole (CID 170007998) is 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole is CC(C)(C)c1nc(-c2ccccc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc(C(C)(C)C)n1.
What is the InChIKey of 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
The InChIKey is WKKHOMQSUYMZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4/c1-40(2,3)38-42-37(43-39(44-38)41(4,5)6)31-19-13-14-20-34(31)45-35-23-21-29(27-15-9-7-10-16-27)25-32(35)33-26-30(22-24-36(33)45)28-17-11-8-12-18-28/h7-26H,1-6H3.
What are the key properties of 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole has a molecular weight of 586.78 g/mol, XLogP of 10.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 170007998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).