9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole

C46H31FN4 — CID 138549621

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3F)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H31FN4/c1-30-20-22-31(23-21-30)34-25-27-42-39(28-34)37-17-9-11-19-41(37)51(42)43-29-35(36-16-8-10-18-40(36)47)24-26-38(43)46-49-44(32-12-4-2-5-13-32)48-45(50-46)33-14-6-3-7-15-33/h2-29H,1H3
InChIKeyMUDKMOHXOWMNQP-UHFFFAOYSA-N
MW658.78 g/mol
LogP11.75
Rot. Bonds6

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole (PubChem CID 138549621) has the molecular formula C46H31FN4 and a molecular weight of 658.78 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole
PubChem CID138549621
Molecular FormulaC46H31FN4
Molecular Weight658.78 g/mol
Exact Mass658.25
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3F)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H31FN4/c1-30-20-22-31(23-21-30)34-25-27-42-39(28-34)37-17-9-11-19-41(37)51(42)43-29-35(36-16-8-10-18-40(36)47)24-26-38(43)46-49-44(32-12-4-2-5-13-32)48-45(50-46)33-14-6-3-7-15-33/h2-29H,1H3
InChIKeyMUDKMOHXOWMNQP-UHFFFAOYSA-N
XLogP11.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.78
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)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-[5-[3-[3-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[5-[3-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4-methylphenyl)carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 163967215
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138549402
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549374
3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138566204
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549530
3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162500772
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138565721
[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
CID 158572406
9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658641
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole (CID 138549621) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3F)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole?
The InChIKey is MUDKMOHXOWMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31FN4/c1-30-20-22-31(23-21-30)34-25-27-42-39(28-34)37-17-9-11-19-41(37)51(42)43-29-35(36-16-8-10-18-40(36)47)24-26-38(43)46-49-44(32-12-4-2-5-13-32)48-45(50-46)33-14-6-3-7-15-33/h2-29H,1H3.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole has a molecular weight of 658.78 g/mol, XLogP of 11.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole is sourced from PubChem (CID 138549621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).