9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole

C75H54F3N5 — CID 159135783

IUPAC9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(C)cc4-c4nc(-c5ccccc5)nc(-c5cc(C(F)(F)F)ccc5-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)n4)c3c2)c1
InChIInChI=1S/C75H54F3N5/c1-45-13-9-19-51(35-45)55-24-29-60-61-30-25-56(52-20-10-14-46(2)36-52)41-69(61)82(68(60)40-55)66-33-23-49(5)39-64(66)73-79-72(50-17-7-6-8-18-50)80-74(81-73)65-44-59(75(76,77)78)28-34-67(65)83-70-42-57(53-21-11-15-47(3)37-53)26-31-62(70)63-32-27-58(43-71(63)83)54-22-12-16-48(4)38-54/h6-44H,1-5H3
InChIKeyDMCDGWQNYVHFLM-UHFFFAOYSA-N
MW1082.29 g/mol
LogP20.30
Rot. Bonds9

About 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole

9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole (PubChem CID 159135783) has the molecular formula C75H54F3N5 and a molecular weight of 1082.29 g/mol. Its IUPAC name is 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole
PubChem CID159135783
Molecular FormulaC75H54F3N5
Molecular Weight1082.29 g/mol
Exact Mass1081.43
IUPAC Name9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(C)cc4-c4nc(-c5ccccc5)nc(-c5cc(C(F)(F)F)ccc5-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)n4)c3c2)c1
InChIInChI=1S/C75H54F3N5/c1-45-13-9-19-51(35-45)55-24-29-60-61-30-25-56(52-20-10-14-46(2)36-52)41-69(61)82(68(60)40-55)66-33-23-49(5)39-64(66)73-79-72(50-17-7-6-8-18-50)80-74(81-73)65-44-59(75(76,77)78)28-34-67(65)83-70-42-57(53-21-11-15-47(3)37-53)26-31-62(70)63-32-27-58(43-71(63)83)54-22-12-16-48(4)38-54/h6-44H,1-5H3
InChIKeyDMCDGWQNYVHFLM-UHFFFAOYSA-N
XLogP20.30
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.29
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-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

2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole
CID 162052120
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole
CID 137421310
9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138712829
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(3-methylphenyl)carbazole
CID 138554822
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 160692189
9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138565827
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 163662138
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 159203970
9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 138554635
2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486639
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole
CID 162573022
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-(3-methylphenyl)carbazole
CID 138486456

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole?
The IUPAC name of 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole (CID 159135783) is 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole.
What is the SMILES notation for 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole?
The canonical SMILES for 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(C)cc4-c4nc(-c5ccccc5)nc(-c5cc(C(F)(F)F)ccc5-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)n4)c3c2)c1.
What is the InChIKey of 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole?
The InChIKey is DMCDGWQNYVHFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54F3N5/c1-45-13-9-19-51(35-45)55-24-29-60-61-30-25-56(52-20-10-14-46(2)36-52)41-69(61)82(68(60)40-55)66-33-23-49(5)39-64(66)73-79-72(50-17-7-6-8-18-50)80-74(81-73)65-44-59(75(76,77)78)28-34-67(65)83-70-42-57(53-21-11-15-47(3)37-53)26-31-62(70)63-32-27-58(43-71(63)83)54-22-12-16-48(4)38-54/h6-44H,1-5H3.
What are the key properties of 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole?
9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole has a molecular weight of 1082.29 g/mol, XLogP of 20.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole is sourced from PubChem (CID 159135783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).