2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile

C58H28F12N6 — CID 137369356

IUPAC2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)nc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C58H28F12N6/c59-55(60,61)30-17-21-47-38(25-30)39-26-31(56(62,63)64)18-22-48(39)75(47)53-51(73-43-13-5-1-9-34(43)35-10-2-6-14-44(35)73)42(29-71)52(74-45-15-7-3-11-36(45)37-12-4-8-16-46(37)74)54(72-53)76-49-23-19-32(57(65,66)67)27-40(49)41-28-33(58(68,69)70)20-24-50(41)76/h1-28H
InChIKeyZXKASYNSXGYRDD-UHFFFAOYSA-N
MW1036.88 g/mol
LogP17.42
Rot. Bonds4

About 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile

2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile (PubChem CID 137369356) has the molecular formula C58H28F12N6 and a molecular weight of 1036.88 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile
PubChem CID137369356
Molecular FormulaC58H28F12N6
Molecular Weight1036.88 g/mol
Exact Mass1036.22
IUPAC Name2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)nc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C58H28F12N6/c59-55(60,61)30-17-21-47-38(25-30)39-26-31(56(62,63)64)18-22-48(39)75(47)53-51(73-43-13-5-1-9-34(43)35-10-2-6-14-44(35)73)42(29-71)52(74-45-15-7-3-11-36(45)37-12-4-8-16-46(37)74)54(72-53)76-49-23-19-32(57(65,66)67)27-40(49)41-28-33(58(68,69)70)20-24-50(41)76/h1-28H
InChIKeyZXKASYNSXGYRDD-UHFFFAOYSA-N
XLogP17.42
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.88
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-bis(benzo[b]carbazol-5-yl)-5,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369012
2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368747
2,3,5-tris([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368911
3,4-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-5,6-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
CID 137368920
2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146532465
3,5-di(carbazol-9-yl)-2,4,6-tris(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 155797997
2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368855
2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
CID 149222859
3,5-di(carbazol-9-yl)-4-[3-(2,2-dimethylpropyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 153496727
2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 121303123
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
2,6-bis[3-(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162571728

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile?
The IUPAC name of 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile (CID 137369356) is 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)nc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile?
The InChIKey is ZXKASYNSXGYRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H28F12N6/c59-55(60,61)30-17-21-47-38(25-30)39-26-31(56(62,63)64)18-22-48(39)75(47)53-51(73-43-13-5-1-9-34(43)35-10-2-6-14-44(35)73)42(29-71)52(74-45-15-7-3-11-36(45)37-12-4-8-16-46(37)74)54(72-53)76-49-23-19-32(57(65,66)67)27-40(49)41-28-33(58(68,69)70)20-24-50(41)76/h1-28H.
What are the key properties of 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile?
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile has a molecular weight of 1036.88 g/mol, XLogP of 17.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 137369356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).