2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile

C62H36F3N5 — CID 137386541

IUPAC2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C62H36F3N5/c63-62(64,65)51-22-8-1-15-40(51)49-33-34-58(69-56-27-13-6-20-45(56)47-31-29-38(35-59(47)69)67-52-23-9-2-16-41(52)42-17-3-10-24-53(42)67)50(37-66)61(49)70-57-28-14-7-21-46(57)48-32-30-39(36-60(48)70)68-54-25-11-4-18-43(54)44-19-5-12-26-55(44)68/h1-36H
InChIKeyVMXYLFDNKHOTFL-UHFFFAOYSA-N
MW908.00 g/mol
LogP16.63
Rot. Bonds5

About 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile

2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386541) has the molecular formula C62H36F3N5 and a molecular weight of 908.00 g/mol. Its IUPAC name is 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386541
Molecular FormulaC62H36F3N5
Molecular Weight908.00 g/mol
Exact Mass907.29
IUPAC Name2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C62H36F3N5/c63-62(64,65)51-22-8-1-15-40(51)49-33-34-58(69-56-27-13-6-20-45(56)47-31-29-38(35-59(47)69)67-52-23-9-2-16-41(52)42-17-3-10-24-53(42)67)50(37-66)61(49)70-57-28-14-7-21-46(57)48-32-30-39(36-60(48)70)68-54-25-11-4-18-43(54)44-19-5-12-26-55(44)68/h1-36H
InChIKeyVMXYLFDNKHOTFL-UHFFFAOYSA-N
XLogP16.63
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.00
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile 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-[4-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-3-(2-cyanocarbazol-9-yl)phenyl]carbazole-2-carbonitrile
CID 137393096
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146520055
2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386428
2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386391
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 137392931
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 146520993
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 142508809
6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile
CID 154960025
3-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 142508548
3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 137381588
4-[2,4-bis(trifluoromethyl)phenyl]-3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 138567288
2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381579

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386541) is 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is VMXYLFDNKHOTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36F3N5/c63-62(64,65)51-22-8-1-15-40(51)49-33-34-58(69-56-27-13-6-20-45(56)47-31-29-38(35-59(47)69)67-52-23-9-2-16-41(52)42-17-3-10-24-53(42)67)50(37-66)61(49)70-57-28-14-7-21-46(57)48-32-30-39(36-60(48)70)68-54-25-11-4-18-43(54)44-19-5-12-26-55(44)68/h1-36H.
What are the key properties of 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 908.00 g/mol, XLogP of 16.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).