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

C60H48N6 — CID 155003329

IUPAC4-(3-tert-butylcarbazol-9-yl)-2-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1
InChIInChI=1S/C60H48N6/c1-59(2,3)42-27-31-53-49(34-42)45-21-13-15-23-51(45)65(53)44-29-25-41(37-61)47(36-44)48-33-40(58-63-56(38-17-9-7-10-18-38)62-57(64-58)39-19-11-8-12-20-39)26-30-54(48)66-52-24-16-14-22-46(52)50-35-43(60(4,5)6)28-32-55(50)66/h7-36H,1-6H3
InChIKeyPJGJGOIEGXJWCC-UHFFFAOYSA-N
MW853.09 g/mol
LogP15.20
Rot. Bonds6

About 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

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 (PubChem CID 155003329) has the molecular formula C60H48N6 and a molecular weight of 853.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(3-tert-butylcarbazol-9-yl)-2-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
PubChem CID155003329
Molecular FormulaC60H48N6
Molecular Weight853.09 g/mol
Exact Mass852.39
IUPAC Name4-(3-tert-butylcarbazol-9-yl)-2-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1
InChIInChI=1S/C60H48N6/c1-59(2,3)42-27-31-53-49(34-42)45-21-13-15-23-51(45)65(53)44-29-25-41(37-61)47(36-44)48-33-40(58-63-56(38-17-9-7-10-18-38)62-57(64-58)39-19-11-8-12-20-39)26-30-54(48)66-52-24-16-14-22-46(52)50-35-43(60(4,5)6)28-32-55(50)66/h7-36H,1-6H3
InChIKeyPJGJGOIEGXJWCC-UHFFFAOYSA-N
XLogP15.20
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.09
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138498977
4-[3-(3-cyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003450
2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 155003281
5-(3-tert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476705
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498978
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
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 146409650
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003372
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499773
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 138554541
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1.
What is the InChIKey of 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?
The InChIKey is PJGJGOIEGXJWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N6/c1-59(2,3)42-27-31-53-49(34-42)45-21-13-15-23-51(45)65(53)44-29-25-41(37-61)47(36-44)48-33-40(58-63-56(38-17-9-7-10-18-38)62-57(64-58)39-19-11-8-12-20-39)26-30-54(48)66-52-24-16-14-22-46(52)50-35-43(60(4,5)6)28-32-55(50)66/h7-36H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 853.09 g/mol, XLogP of 15.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155003329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).