2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole

C86H50F6N6 — CID 138736236

IUPAC2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc(C(F)(F)F)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1-n1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C86H50F6N6/c87-85(88,89)69-43-33-51(45-83(69)97-79-47-53(93-71-25-9-1-17-57(71)58-18-2-10-26-72(58)93)35-39-65(79)66-40-36-54(48-80(66)97)94-73-27-11-3-19-59(73)60-20-4-12-28-74(60)94)52-34-44-70(86(90,91)92)84(46-52)98-81-49-55(95-75-29-13-5-21-61(75)62-22-6-14-30-76(62)95)37-41-67(81)68-42-38-56(50-82(68)98)96-77-31-15-7-23-63(77)64-24-8-16-32-78(64)96/h1-50H
InChIKeyUJSCNUPHNWRPTQ-UHFFFAOYSA-N
MW1281.38 g/mol
LogP23.97
Rot. Bonds7

About 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole

2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 138736236) has the molecular formula C86H50F6N6 and a molecular weight of 1281.38 g/mol. Its IUPAC name is 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
PubChem CID138736236
Molecular FormulaC86H50F6N6
Molecular Weight1281.38 g/mol
Exact Mass1280.40
IUPAC Name2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc(C(F)(F)F)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1-n1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C86H50F6N6/c87-85(88,89)69-43-33-51(45-83(69)97-79-47-53(93-71-25-9-1-17-57(71)58-18-2-10-26-72(58)93)35-39-65(79)66-40-36-54(48-80(66)97)94-73-27-11-3-19-59(73)60-20-4-12-28-74(60)94)52-34-44-70(86(90,91)92)84(46-52)98-81-49-55(95-75-29-13-5-21-61(75)62-22-6-14-30-76(62)95)37-41-67(81)68-42-38-56(50-82(68)98)96-77-31-15-7-23-63(77)64-24-8-16-32-78(64)96/h1-50H
InChIKeyUJSCNUPHNWRPTQ-UHFFFAOYSA-N
XLogP23.97
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001281.38
LogP ≤ 523.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)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-[5-[3-(2-cyanocarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole-2-carbonitrile
CID 138736023
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
9-[5-[3-[2,7-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-bis[4-(trifluoromethyl)phenyl]carbazole
CID 147940441
9-[2,5-bis(trifluoromethyl)phenyl]carbazole
CID 122431295
9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole
CID 174910528
9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole
CID 161037605
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
5-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612242
4-[3-cyano-5-(trifluoromethyl)phenyl]-3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 142508608

Frequently Asked Questions

What is the IUPAC name of 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole (CID 138736236) is 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1ccc(-c2ccc(C(F)(F)F)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1-n1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is UJSCNUPHNWRPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H50F6N6/c87-85(88,89)69-43-33-51(45-83(69)97-79-47-53(93-71-25-9-1-17-57(71)58-18-2-10-26-72(58)93)35-39-65(79)66-40-36-54(48-80(66)97)94-73-27-11-3-19-59(73)60-20-4-12-28-74(60)94)52-34-44-70(86(90,91)92)84(46-52)98-81-49-55(95-75-29-13-5-21-61(75)62-22-6-14-30-76(62)95)37-41-67(81)68-42-38-56(50-82(68)98)96-77-31-15-7-23-63(77)64-24-8-16-32-78(64)96/h1-50H.
What are the key properties of 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 1281.38 g/mol, XLogP of 23.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 138736236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).