9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole

C49H36N6 — CID 170007634

IUPAC9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole
SMILESCC(C)(C)c1nc(-c2cccc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C49H36N6/c1-49(2,3)47-50-46(51-48(52-47)55-42-28-14-8-21-35(42)36-22-9-15-29-43(36)55)37-23-16-30-44(53-38-24-10-4-17-31(38)32-18-5-11-25-39(32)53)45(37)54-40-26-12-6-19-33(40)34-20-7-13-27-41(34)54/h4-30H,1-3H3
InChIKeyJJNWTFLIXWKBRE-UHFFFAOYSA-N
MW708.87 g/mol
LogP12.13
Rot. Bonds4

About 9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole

9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole (PubChem CID 170007634) has the molecular formula C49H36N6 and a molecular weight of 708.87 g/mol. Its IUPAC name is 9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole
PubChem CID170007634
Molecular FormulaC49H36N6
Molecular Weight708.87 g/mol
Exact Mass708.30
IUPAC Name9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole
SMILESCC(C)(C)c1nc(-c2cccc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C49H36N6/c1-49(2,3)47-50-46(51-48(52-47)55-42-28-14-8-21-35(42)36-22-9-15-29-43(36)55)37-23-16-30-44(53-38-24-10-4-17-31(38)32-18-5-11-25-39(32)53)45(37)54-40-26-12-6-19-33(40)34-20-7-13-27-41(34)54/h4-30H,1-3H3
InChIKeyJJNWTFLIXWKBRE-UHFFFAOYSA-N
XLogP12.13
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.87
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 170008009
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
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 160861807
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
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
9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 152880708
9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170940965
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 121401468

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole?
The IUPAC name of 9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole (CID 170007634) is 9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole.
What is the SMILES notation for 9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole?
The canonical SMILES for 9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole is CC(C)(C)c1nc(-c2cccc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole?
The InChIKey is JJNWTFLIXWKBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N6/c1-49(2,3)47-50-46(51-48(52-47)55-42-28-14-8-21-35(42)36-22-9-15-29-43(36)55)37-23-16-30-44(53-38-24-10-4-17-31(38)32-18-5-11-25-39(32)53)45(37)54-40-26-12-6-19-33(40)34-20-7-13-27-41(34)54/h4-30H,1-3H3.
What are the key properties of 9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole?
9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole has a molecular weight of 708.87 g/mol, XLogP of 12.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole is sourced from PubChem (CID 170007634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).