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

C35H34N4 — CID 170008009

IUPAC9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
SMILESCC(C)(C)c1nc(-c2ccccc2-n2c3ccccc3c3cccc(-c4ccccc4)c32)nc(C(C)(C)C)n1
InChIInChI=1S/C35H34N4/c1-34(2,3)32-36-31(37-33(38-32)35(4,5)6)27-18-11-13-22-29(27)39-28-21-12-10-17-25(28)26-20-14-19-24(30(26)39)23-15-8-7-9-16-23/h7-22H,1-6H3
InChIKeyPMWVWYVEKPKGEM-UHFFFAOYSA-N
MW510.69 g/mol
LogP8.90
Rot. Bonds3

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

9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole (PubChem CID 170008009) has the molecular formula C35H34N4 and a molecular weight of 510.69 g/mol. Its IUPAC name is 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole.

Molecular Properties

Compound Name9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
PubChem CID170008009
Molecular FormulaC35H34N4
Molecular Weight510.69 g/mol
Exact Mass510.28
IUPAC Name9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
SMILESCC(C)(C)c1nc(-c2ccccc2-n2c3ccccc3c3cccc(-c4ccccc4)c32)nc(C(C)(C)C)n1
InChIInChI=1S/C35H34N4/c1-34(2,3)32-36-31(37-33(38-32)35(4,5)6)27-18-11-13-22-29(27)39-28-21-12-10-17-25(28)26-20-14-19-24(30(26)39)23-15-8-7-9-16-23/h7-22H,1-6H3
InChIKeyPMWVWYVEKPKGEM-UHFFFAOYSA-N
XLogP8.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.69
LogP ≤ 58.90
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]-3,6-diphenylcarbazole
CID 170007998
5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170007620
12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 176623225
9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole
CID 170007634
9-[2-[4-tert-butyl-6-[(2-carbazol-9-yl-3-phenylphenyl)methyl]-1,3,5-triazin-2-yl]phenyl]-3-carbazol-9-ylcarbazole
CID 176623148
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
11-phenyl-12-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014688
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 146573232
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
5-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 146573174
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
10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 165032015

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole?
The IUPAC name of 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole (CID 170008009) is 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole.
What is the SMILES notation for 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole?
The canonical SMILES for 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole is CC(C)(C)c1nc(-c2ccccc2-n2c3ccccc3c3cccc(-c4ccccc4)c32)nc(C(C)(C)C)n1.
What is the InChIKey of 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole?
The InChIKey is PMWVWYVEKPKGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4/c1-34(2,3)32-36-31(37-33(38-32)35(4,5)6)27-18-11-13-22-29(27)39-28-21-12-10-17-25(28)26-20-14-19-24(30(26)39)23-15-8-7-9-16-23/h7-22H,1-6H3.
What are the key properties of 9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole?
9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole has a molecular weight of 510.69 g/mol, XLogP of 8.90, 3 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]-1-phenylcarbazole is sourced from PubChem (CID 170008009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).