4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile

C40H18F12N4 — CID 146409769

IUPAC4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-c2cc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)ccn2)c1
InChIInChI=1S/C40H18F12N4/c41-37(42,43)21-2-7-32-26(14-21)27-15-22(38(44,45)46)3-8-33(27)55(32)25-11-12-54-31(18-25)30-13-20(19-53)1-6-36(30)56-34-9-4-23(39(47,48)49)16-28(34)29-17-24(40(50,51)52)5-10-35(29)56/h1-18H
InChIKeyLPEIIDMJUZSTDG-UHFFFAOYSA-N
MW782.59 g/mol
LogP12.89
Rot. Bonds3

About 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile

4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (PubChem CID 146409769) has the molecular formula C40H18F12N4 and a molecular weight of 782.59 g/mol. Its IUPAC name is 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
PubChem CID146409769
Molecular FormulaC40H18F12N4
Molecular Weight782.59 g/mol
Exact Mass782.13
IUPAC Name4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-c2cc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)ccn2)c1
InChIInChI=1S/C40H18F12N4/c41-37(42,43)21-2-7-32-26(14-21)27-15-22(38(44,45)46)3-8-33(27)55(32)25-11-12-54-31(18-25)30-13-20(19-53)1-6-36(30)56-34-9-4-23(39(47,48)49)16-28(34)29-17-24(40(50,51)52)5-10-35(29)56/h1-18H
InChIKeyLPEIIDMJUZSTDG-UHFFFAOYSA-N
XLogP12.89
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.59
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 146409485
9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158207837
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003391
4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile
CID 139526319
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499401
4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile
CID 142495082
3-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 138499904
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile
CID 162572662
3-[4-[5-cyano-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 159701387
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155014643
9-[4-[3,5-bis(trifluoromethyl)phenyl]-3-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 138499801
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

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (CID 146409769) is 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is N#Cc1ccc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-c2cc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)ccn2)c1.
What is the InChIKey of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The InChIKey is LPEIIDMJUZSTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H18F12N4/c41-37(42,43)21-2-7-32-26(14-21)27-15-22(38(44,45)46)3-8-33(27)55(32)25-11-12-54-31(18-25)30-13-20(19-53)1-6-36(30)56-34-9-4-23(39(47,48)49)16-28(34)29-17-24(40(50,51)52)5-10-35(29)56/h1-18H.
What are the key properties of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile has a molecular weight of 782.59 g/mol, XLogP of 12.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 146409769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).