4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene

C73H48F12N4 — CID 145427143

IUPAC4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene
SMILESC/C=C\C.C=CC.N#Cc1ccc(-n2c3cc(-c4ccccc4C(F)(F)F)ccc3c3ccc(-c4ccccc4C(F)(F)F)cc32)cc1-c1cc(-n2c3cc(-c4ccccc4C(F)(F)F)ccc3c3ccc(-c4ccccc4C(F)(F)F)cc32)ccc1C#N
InChIInChI=1S/C66H34F12N4.C4H8.C3H6/c67-63(68,69)55-13-5-1-9-45(55)37-19-25-49-50-26-20-38(46-10-2-6-14-56(46)64(70,71)72)30-60(50)81(59(49)29-37)43-23-17-41(35-79)53(33-43)54-34-44(24-18-42(54)36-80)82-61-31-39(47-11-3-7-15-57(47)65(73,74)75)21-27-51(61)52-28-22-40(32-62(52)82)48-12-4-8-16-58(48)66(76,77)78;1-3-4-2;1-3-2/h1-34H;3-4H,1-2H3;3H,1H2,2H3/b;4-3-;
InChIKeyKZQKQPMOITZLTI-LWFKIUJUSA-N
MW1209.19 g/mol
LogP22.81
Rot. Bonds7

About 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene

4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene (PubChem CID 145427143) has the molecular formula C73H48F12N4 and a molecular weight of 1209.19 g/mol. Its IUPAC name is 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene.

Molecular Properties

Compound Name4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene
PubChem CID145427143
Molecular FormulaC73H48F12N4
Molecular Weight1209.19 g/mol
Exact Mass1208.37
IUPAC Name4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene
SMILESC/C=C\C.C=CC.N#Cc1ccc(-n2c3cc(-c4ccccc4C(F)(F)F)ccc3c3ccc(-c4ccccc4C(F)(F)F)cc32)cc1-c1cc(-n2c3cc(-c4ccccc4C(F)(F)F)ccc3c3ccc(-c4ccccc4C(F)(F)F)cc32)ccc1C#N
InChIInChI=1S/C66H34F12N4.C4H8.C3H6/c67-63(68,69)55-13-5-1-9-45(55)37-19-25-49-50-26-20-38(46-10-2-6-14-56(46)64(70,71)72)30-60(50)81(59(49)29-37)43-23-17-41(35-79)53(33-43)54-34-44(24-18-42(54)36-80)82-61-31-39(47-11-3-7-15-57(47)65(73,74)75)21-27-51(61)52-28-22-40(32-62(52)82)48-12-4-8-16-58(48)66(76,77)78;1-3-4-2;1-3-2/h1-34H;3-4H,1-2H3;3H,1H2,2H3/b;4-3-;
InChIKeyKZQKQPMOITZLTI-LWFKIUJUSA-N
XLogP22.81
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001209.19
LogP ≤ 522.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene with MolForge

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Related Compounds

4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile
CID 138749756
2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146519971
2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
CID 134300208
4-[7-(4-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486487
5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138749589
4,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386514
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
CID 138486696
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 138486679
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386339
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 138554541
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499773

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene?
The IUPAC name of 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene (CID 145427143) is 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene.
What is the SMILES notation for 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene?
The canonical SMILES for 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene is C/C=C\C.C=CC.N#Cc1ccc(-n2c3cc(-c4ccccc4C(F)(F)F)ccc3c3ccc(-c4ccccc4C(F)(F)F)cc32)cc1-c1cc(-n2c3cc(-c4ccccc4C(F)(F)F)ccc3c3ccc(-c4ccccc4C(F)(F)F)cc32)ccc1C#N.
What is the InChIKey of 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene?
The InChIKey is KZQKQPMOITZLTI-LWFKIUJUSA-N. The full InChI is InChI=1S/C66H34F12N4.C4H8.C3H6/c67-63(68,69)55-13-5-1-9-45(55)37-19-25-49-50-26-20-38(46-10-2-6-14-56(46)64(70,71)72)30-60(50)81(59(49)29-37)43-23-17-41(35-79)53(33-43)54-34-44(24-18-42(54)36-80)82-61-31-39(47-11-3-7-15-57(47)65(73,74)75)21-27-51(61)52-28-22-40(32-62(52)82)48-12-4-8-16-58(48)66(76,77)78;1-3-4-2;1-3-2/h1-34H;3-4H,1-2H3;3H,1H2,2H3/b;4-3-;.
What are the key properties of 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene?
4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene has a molecular weight of 1209.19 g/mol, XLogP of 22.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene is sourced from PubChem (CID 145427143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).