4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile

C76H42F6N6 — CID 167035242

IUPAC4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c1
InChIInChI=1S/C76H42F6N6/c77-75(78,79)51-35-49(37-53(41-51)85-65-19-7-1-13-55(65)56-14-2-8-20-66(56)85)47-27-31-73-63(39-47)59-17-5-11-23-69(59)87(73)71-29-25-45(43-83)33-61(71)62-34-46(44-84)26-30-72(62)88-70-24-12-6-18-60(70)64-40-48(28-32-74(64)88)50-36-52(76(80,81)82)42-54(38-50)86-67-21-9-3-15-57(67)58-16-4-10-22-68(58)86/h1-42H
InChIKeyXWMGMBDORAHACP-UHFFFAOYSA-N
MW1153.20 g/mol
LogP20.86
Rot. Bonds7

About 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile

4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile (PubChem CID 167035242) has the molecular formula C76H42F6N6 and a molecular weight of 1153.20 g/mol. Its IUPAC name is 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile
PubChem CID167035242
Molecular FormulaC76H42F6N6
Molecular Weight1153.20 g/mol
Exact Mass1152.34
IUPAC Name4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c1
InChIInChI=1S/C76H42F6N6/c77-75(78,79)51-35-49(37-53(41-51)85-65-19-7-1-13-55(65)56-14-2-8-20-66(56)85)47-27-31-73-63(39-47)59-17-5-11-23-69(59)87(73)71-29-25-45(43-83)33-61(71)62-34-46(44-84)26-30-72(62)88-70-24-12-6-18-60(70)64-40-48(28-32-74(64)88)50-36-52(76(80,81)82)42-54(38-50)86-67-21-9-3-15-57(67)58-16-4-10-22-68(58)86/h1-42H
InChIKeyXWMGMBDORAHACP-UHFFFAOYSA-N
XLogP20.86
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.20
LogP ≤ 520.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile with MolForge

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Related Compounds

5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744006
4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164744011
3-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499490
3-[4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-tert-butylcarbazol-9-yl)phenyl]-4-(3-tert-butylcarbazol-9-yl)benzonitrile
CID 138499668
5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499701
3-[2-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138500010
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409764
3-[2-[3,5-bis(trifluoromethyl)phenyl]-5-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 138499213
9-[4-[3,5-bis(trifluoromethyl)phenyl]-3-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 138499801
3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159152153
4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 138498906
4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499308

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile?
The IUPAC name of 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile (CID 167035242) is 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile.
What is the SMILES notation for 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile?
The canonical SMILES for 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c1.
What is the InChIKey of 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile?
The InChIKey is XWMGMBDORAHACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H42F6N6/c77-75(78,79)51-35-49(37-53(41-51)85-65-19-7-1-13-55(65)56-14-2-8-20-66(56)85)47-27-31-73-63(39-47)59-17-5-11-23-69(59)87(73)71-29-25-45(43-83)33-61(71)62-34-46(44-84)26-30-72(62)88-70-24-12-6-18-60(70)64-40-48(28-32-74(64)88)50-36-52(76(80,81)82)42-54(38-50)86-67-21-9-3-15-57(67)58-16-4-10-22-68(58)86/h1-42H.
What are the key properties of 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile?
4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile has a molecular weight of 1153.20 g/mol, XLogP of 20.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile is sourced from PubChem (CID 167035242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).