3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole

C46H41N5 — CID 142560218

IUPAC3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccncc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C46H41N5/c1-45(2,3)33-20-22-39-37(28-33)38-29-34(46(4,5)6)21-23-40(38)51(39)41-35(30-24-26-47-27-25-30)18-13-19-36(41)44-49-42(31-14-9-7-10-15-31)48-43(50-44)32-16-11-8-12-17-32/h7-29H,1-6H3
InChIKeyUZOAEFROZXBIMO-UHFFFAOYSA-N
MW663.87 g/mol
LogP11.63
Rot. Bonds5

About 3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole

3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole (PubChem CID 142560218) has the molecular formula C46H41N5 and a molecular weight of 663.87 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole
PubChem CID142560218
Molecular FormulaC46H41N5
Molecular Weight663.87 g/mol
Exact Mass663.34
IUPAC Name3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccncc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C46H41N5/c1-45(2,3)33-20-22-39-37(28-33)38-29-34(46(4,5)6)21-23-40(38)51(39)41-35(30-24-26-47-27-25-30)18-13-19-36(41)44-49-42(31-14-9-7-10-15-31)48-43(50-44)32-16-11-8-12-17-32/h7-29H,1-6H3
InChIKeyUZOAEFROZXBIMO-UHFFFAOYSA-N
XLogP11.63
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.87
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146281005
3,6-ditert-butyl-9-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153459784
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-diphenylphenyl]carbazole
CID 140903129
3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146280466
3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
CID 138606121
12,30-ditert-butyl-20,20,22,22-tetramethyl-43-phenyl-6,36-dipyridin-2-yl-8,34,42,44,45-pentazadecacyclo[39.3.1.115,19.123,27.02,7.08,16.09,14.026,34.028,33.035,40]heptatetraconta-1(45),2,4,6,9(14),10,12,15,17,19(47),23(46),24,26,28(33),29,31,35,37,39,41,43-henicosaene
CID 167100876
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280577
3,6-ditert-butyl-9-[3-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazole
CID 137385082
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole
CID 159670250
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole (CID 142560218) is 3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccncc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole?
The InChIKey is UZOAEFROZXBIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41N5/c1-45(2,3)33-20-22-39-37(28-33)38-29-34(46(4,5)6)21-23-40(38)51(39)41-35(30-24-26-47-27-25-30)18-13-19-36(41)44-49-42(31-14-9-7-10-15-31)48-43(50-44)32-16-11-8-12-17-32/h7-29H,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole?
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole has a molecular weight of 663.87 g/mol, XLogP of 11.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole is sourced from PubChem (CID 142560218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).