9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole

C35H28N4 — CID 59845018

IUPAC9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
SMILESCc1cc(C)c(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)c1
InChIInChI=1S/C35H28N4/c1-23-21-24(2)33(25(3)22-23)35-37-36-34(26-11-5-4-6-12-26)39(35)28-19-17-27(18-20-28)38-31-15-9-7-13-29(31)30-14-8-10-16-32(30)38/h4-22H,1-3H3
InChIKeyTVXNYUULWJUNEF-UHFFFAOYSA-N
MW504.64 g/mol
LogP8.62
Rot. Bonds4

About 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole

9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole (PubChem CID 59845018) has the molecular formula C35H28N4 and a molecular weight of 504.64 g/mol. Its IUPAC name is 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
PubChem CID59845018
Molecular FormulaC35H28N4
Molecular Weight504.64 g/mol
Exact Mass504.23
IUPAC Name9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
SMILESCc1cc(C)c(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)c1
InChIInChI=1S/C35H28N4/c1-23-21-24(2)33(25(3)22-23)35-37-36-34(26-11-5-4-6-12-26)39(35)28-19-17-27(18-20-28)38-31-15-9-7-13-29(31)30-14-8-10-16-32(30)38/h4-22H,1-3H3
InChIKeyTVXNYUULWJUNEF-UHFFFAOYSA-N
XLogP8.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole 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

9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-[4-[3-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845055
9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845044
9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 134554853
9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501538
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 146179751
5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146227213
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
12,26-bis(4-methylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 123155033

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole (CID 59845018) is 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole is Cc1cc(C)c(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)c1.
What is the InChIKey of 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole?
The InChIKey is TVXNYUULWJUNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4/c1-23-21-24(2)33(25(3)22-23)35-37-36-34(26-11-5-4-6-12-26)39(35)28-19-17-27(18-20-28)38-31-15-9-7-13-29(31)30-14-8-10-16-32(30)38/h4-22H,1-3H3.
What are the key properties of 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole?
9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole has a molecular weight of 504.64 g/mol, XLogP of 8.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole is sourced from PubChem (CID 59845018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).