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

C66H44F3N5 — CID 138554263

IUPAC9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-c2c(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)cccc2C(F)(F)F)cc1
InChIInChI=1S/C66H44F3N5/c1-41-27-31-43(32-28-41)47-35-37-57-52(39-47)49-19-9-11-23-55(49)73(57)59-25-13-21-51(65-71-63(45-15-5-3-6-16-45)70-64(72-65)46-17-7-4-8-18-46)61(59)62-54(66(67,68)69)22-14-26-60(62)74-56-24-12-10-20-50(56)53-40-48(36-38-58(53)74)44-33-29-42(2)30-34-44/h3-40H,1-2H3
InChIKeySYAHJRTZVKPOOK-UHFFFAOYSA-N
MW964.11 g/mol
LogP17.70
Rot. Bonds8

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

9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole (PubChem CID 138554263) has the molecular formula C66H44F3N5 and a molecular weight of 964.11 g/mol. Its IUPAC name is 9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
PubChem CID138554263
Molecular FormulaC66H44F3N5
Molecular Weight964.11 g/mol
Exact Mass963.35
IUPAC Name9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-c2c(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)cccc2C(F)(F)F)cc1
InChIInChI=1S/C66H44F3N5/c1-41-27-31-43(32-28-41)47-35-37-57-52(39-47)49-19-9-11-23-55(49)73(57)59-25-13-21-51(65-71-63(45-15-5-3-6-16-45)70-64(72-65)46-17-7-4-8-18-46)61(59)62-54(66(67,68)69)22-14-26-60(62)74-56-24-12-10-20-50(56)53-40-48(36-38-58(53)74)44-33-29-42(2)30-34-44/h3-40H,1-2H3
InChIKeySYAHJRTZVKPOOK-UHFFFAOYSA-N
XLogP17.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.11
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)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-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 138554400
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)-6-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138554678
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543874
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170665019
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138554823
4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822
3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 138554404
9-[2-[3-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166899924
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
2-[2-[2,6-bis(trifluoromethyl)phenyl]-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499994
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 138486422
9-[2-[2-(3-cyanocarbazol-9-yl)-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 147568777

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole?
The IUPAC name of 9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole (CID 138554263) is 9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole.
What is the SMILES notation for 9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole?
The canonical SMILES for 9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-c2c(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)cccc2C(F)(F)F)cc1.
What is the InChIKey of 9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole?
The InChIKey is SYAHJRTZVKPOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44F3N5/c1-41-27-31-43(32-28-41)47-35-37-57-52(39-47)49-19-9-11-23-55(49)73(57)59-25-13-21-51(65-71-63(45-15-5-3-6-16-45)70-64(72-65)46-17-7-4-8-18-46)61(59)62-54(66(67,68)69)22-14-26-60(62)74-56-24-12-10-20-50(56)53-40-48(36-38-58(53)74)44-33-29-42(2)30-34-44/h3-40H,1-2H3.
What are the key properties of 9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole?
9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole has a molecular weight of 964.11 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole is sourced from PubChem (CID 138554263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).