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

C50H28F3N5 — CID 162614133

IUPAC2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1ccc(C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21
InChIInChI=1S/C50H28F3N5/c51-50(52,53)35-19-20-40(49(27-35)58-45-16-8-6-14-39(45)42-26-32(18-22-47(42)58)37-12-4-2-10-34(37)29-55)43-30-56-24-23-48(43)57-44-15-7-5-13-38(44)41-25-31(17-21-46(41)57)36-11-3-1-9-33(36)28-54/h1-27,30H
InChIKeyGCWAUDRLRJZXLF-UHFFFAOYSA-N
MW755.80 g/mol
LogP13.04
Rot. Bonds5

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

2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile (PubChem CID 162614133) has the molecular formula C50H28F3N5 and a molecular weight of 755.80 g/mol. Its IUPAC name is 2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
PubChem CID162614133
Molecular FormulaC50H28F3N5
Molecular Weight755.80 g/mol
Exact Mass755.23
IUPAC Name2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1ccc(C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21
InChIInChI=1S/C50H28F3N5/c51-50(52,53)35-19-20-40(49(27-35)58-45-16-8-6-14-39(45)42-26-32(18-22-47(42)58)37-12-4-2-10-34(37)29-55)43-30-56-24-23-48(43)57-44-15-7-5-13-38(44)41-25-31(17-21-46(41)57)36-11-3-1-9-33(36)28-54/h1-27,30H
InChIKeyGCWAUDRLRJZXLF-UHFFFAOYSA-N
XLogP13.04
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.80
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
3-[9-[3-[2-[3-(3-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
CID 162614131
4-[4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-3-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 157398570
2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174170989
3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 153455519
4-[2,4-bis(trifluoromethyl)phenyl]-3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134473623
4-[4-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 147357350
2-[9-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142501874
4-[9-[2-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-5-cyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499082
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
4-[3-(2-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 164743997
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

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile?
The IUPAC name of 2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile (CID 162614133) is 2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile.
What is the SMILES notation for 2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile?
The canonical SMILES for 2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1ccc(C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21.
What is the InChIKey of 2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile?
The InChIKey is GCWAUDRLRJZXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28F3N5/c51-50(52,53)35-19-20-40(49(27-35)58-45-16-8-6-14-39(45)42-26-32(18-22-47(42)58)37-12-4-2-10-34(37)29-55)43-30-56-24-23-48(43)57-44-15-7-5-13-38(44)41-25-31(17-21-46(41)57)36-11-3-1-9-33(36)28-54/h1-27,30H.
What are the key properties of 2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile?
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile has a molecular weight of 755.80 g/mol, XLogP of 13.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile is sourced from PubChem (CID 162614133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).