5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

C61H47N7 — CID 174170525

IUPAC5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)cc3-c3ccc(C#N)cc3)n2)c(C#N)c1
InChIInChI=1S/C61H47N7/c1-60(2,3)42-24-30-55-51(33-42)47-16-10-12-18-53(47)67(55)44-26-28-46(41(32-44)37-63)58-64-57(40-14-8-7-9-15-40)65-59(66-58)49-29-27-45(35-50(49)39-22-20-38(36-62)21-23-39)68-54-19-13-11-17-48(54)52-34-43(61(4,5)6)25-31-56(52)68/h7-35H,1-6H3
InChIKeyFQAPPRKAEVIPOU-UHFFFAOYSA-N
MW878.10 g/mol
LogP15.07
Rot. Bonds6

About 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 174170525) has the molecular formula C61H47N7 and a molecular weight of 878.10 g/mol. Its IUPAC name is 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
PubChem CID174170525
Molecular FormulaC61H47N7
Molecular Weight878.10 g/mol
Exact Mass877.39
IUPAC Name5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)cc3-c3ccc(C#N)cc3)n2)c(C#N)c1
InChIInChI=1S/C61H47N7/c1-60(2,3)42-24-30-55-51(33-42)47-16-10-12-18-53(47)67(55)44-26-28-46(41(32-44)37-63)58-64-57(40-14-8-7-9-15-40)65-59(66-58)49-29-27-45(35-50(49)39-22-20-38(36-62)21-23-39)68-54-19-13-11-17-48(54)52-34-43(61(4,5)6)25-31-56(52)68/h7-35H,1-6H3
InChIKeyFQAPPRKAEVIPOU-UHFFFAOYSA-N
XLogP15.07
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.10
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile with MolForge

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Related Compounds

5-(3-tert-butylcarbazol-9-yl)-2-[4-[2-(3-cyanophenyl)-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174170476
5-(3-tert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476705
2-[4-[2-(2-cyanophenyl)-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 170664954
9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 134508127
4-[4-(3,6-ditert-butylcarbazol-9-yl)-3-[5-(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495579
5-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476292
4-(3-tert-butylcarbazol-9-yl)-2-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003329
2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-[5-(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496037
2-[2-[4-[2-(2-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 170135903
5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138579613
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 134476313
2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]-7-[5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazole
CID 156509701

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (CID 174170525) is 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)cc3-c3ccc(C#N)cc3)n2)c(C#N)c1.
What is the InChIKey of 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is FQAPPRKAEVIPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N7/c1-60(2,3)42-24-30-55-51(33-42)47-16-10-12-18-53(47)67(55)44-26-28-46(41(32-44)37-63)58-64-57(40-14-8-7-9-15-40)65-59(66-58)49-29-27-45(35-50(49)39-22-20-38(36-62)21-23-39)68-54-19-13-11-17-48(54)52-34-43(61(4,5)6)25-31-56(52)68/h7-35H,1-6H3.
What are the key properties of 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 878.10 g/mol, XLogP of 15.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylcarbazol-9-yl)-2-[4-[4-(3-tert-butylcarbazol-9-yl)-2-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 174170525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).