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

C64H47N7 — CID 137414558

IUPAC9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C64H47N7/c1-40-31-41(2)34-51(33-40)48-25-28-56-53(37-48)54-38-49(52-35-42(3)32-43(4)36-52)26-29-57(54)71(56)58-30-27-50(63-67-59(44-17-9-5-10-18-44)65-60(68-63)45-19-11-6-12-20-45)39-55(58)64-69-61(46-21-13-7-14-22-46)66-62(70-64)47-23-15-8-16-24-47/h5-39H,1-4H3
InChIKeyNVIFJEPQWUPLTB-UHFFFAOYSA-N
MW914.13 g/mol
LogP15.72
Rot. Bonds9

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

9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole (PubChem CID 137414558) has the molecular formula C64H47N7 and a molecular weight of 914.13 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
PubChem CID137414558
Molecular FormulaC64H47N7
Molecular Weight914.13 g/mol
Exact Mass913.39
IUPAC Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C64H47N7/c1-40-31-41(2)34-51(33-40)48-25-28-56-53(37-48)54-38-49(52-35-42(3)32-43(4)36-52)26-29-57(54)71(56)58-30-27-50(63-67-59(44-17-9-5-10-18-44)65-60(68-63)45-19-11-6-12-20-45)39-55(58)64-69-61(46-21-13-7-14-22-46)66-62(70-64)47-23-15-8-16-24-47/h5-39H,1-4H3
InChIKeyNVIFJEPQWUPLTB-UHFFFAOYSA-N
XLogP15.72
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.13
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)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

3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139504246
9-[2-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 162500791
3,6-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 138579171
9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155279556
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414597
3,6-bis(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137420940
3-(3,5-dimethylphenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421384
9-[2-[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(3,5-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole
CID 155279508
4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508097
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155628013
3-(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 137414549
9-[4-(4,6-diphenylpyrimidin-2-yl)-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 137420974

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole?
The IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole (CID 137414558) is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole.
What is the SMILES notation for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole?
The canonical SMILES for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole?
The InChIKey is NVIFJEPQWUPLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N7/c1-40-31-41(2)34-51(33-40)48-25-28-56-53(37-48)54-38-49(52-35-42(3)32-43(4)36-52)26-29-57(54)71(56)58-30-27-50(63-67-59(44-17-9-5-10-18-44)65-60(68-63)45-19-11-6-12-20-45)39-55(58)64-69-61(46-21-13-7-14-22-46)66-62(70-64)47-23-15-8-16-24-47/h5-39H,1-4H3.
What are the key properties of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole?
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole has a molecular weight of 914.13 g/mol, XLogP of 15.72, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole is sourced from PubChem (CID 137414558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).