2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile

C60H28F12N6 — CID 146532465

IUPAC2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(C#N)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-n1c2ccccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C60H28F12N6/c61-57(62,63)31-17-21-39-35-9-1-5-13-45(35)75(49(39)25-31)53-43(29-73)54(76-46-14-6-2-10-36(46)40-22-18-32(26-50(40)76)58(64,65)66)56(78-48-16-8-4-12-38(48)42-24-20-34(28-52(42)78)60(70,71)72)55(44(53)30-74)77-47-15-7-3-11-37(47)41-23-19-33(27-51(41)77)59(67,68)69/h1-28H
InChIKeyGZLREKPSDYUOEL-UHFFFAOYSA-N
MW1060.90 g/mol
LogP17.89
Rot. Bonds4

About 2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile

2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile (PubChem CID 146532465) has the molecular formula C60H28F12N6 and a molecular weight of 1060.90 g/mol. Its IUPAC name is 2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
PubChem CID146532465
Molecular FormulaC60H28F12N6
Molecular Weight1060.90 g/mol
Exact Mass1060.22
IUPAC Name2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(C#N)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-n1c2ccccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C60H28F12N6/c61-57(62,63)31-17-21-39-35-9-1-5-13-45(35)75(49(39)25-31)53-43(29-73)54(76-46-14-6-2-10-36(46)40-22-18-32(26-50(40)76)58(64,65)66)56(78-48-16-8-4-12-38(48)42-24-20-34(28-52(42)78)60(70,71)72)55(44(53)30-74)77-47-15-7-3-11-37(47)41-23-19-33(27-51(41)77)59(67,68)69/h1-28H
InChIKeyGZLREKPSDYUOEL-UHFFFAOYSA-N
XLogP17.89
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.90
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-5,6-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
CID 137368920
2,3-bis(benzo[b]carbazol-5-yl)-5,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369012
2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 121303123
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile
CID 137369356
3,5-di(carbazol-9-yl)-2,4,6-tris(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 155797997
2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 139302869
2,6-di(dibenzothiophen-1-yl)-3,4,5-tris[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137369199
3-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 142508548
3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,6-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 137368865
2,3,4,6-tetra(carbazol-9-yl)-5-fluorobenzonitrile
CID 122401000
3,5-di(carbazol-9-yl)-4-[3-(2,2-dimethylpropyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 153496727
2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368747

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile (CID 146532465) is 2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile is N#Cc1c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(C#N)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-n1c2ccccc2c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile?
The InChIKey is GZLREKPSDYUOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H28F12N6/c61-57(62,63)31-17-21-39-35-9-1-5-13-45(35)75(49(39)25-31)53-43(29-73)54(76-46-14-6-2-10-36(46)40-22-18-32(26-50(40)76)58(64,65)66)56(78-48-16-8-4-12-38(48)42-24-20-34(28-52(42)78)60(70,71)72)55(44(53)30-74)77-47-15-7-3-11-37(47)41-23-19-33(27-51(41)77)59(67,68)69/h1-28H.
What are the key properties of 2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile?
2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1060.90 g/mol, XLogP of 17.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146532465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).