2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile

C70H36F12N6O2 — CID 137368725

IUPAC2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2N2c3ccccc3Oc3ccccc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)nc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1-c1ccccc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C70H36F12N6O2/c71-67(72,73)38-25-29-42-43-30-26-39(68(74,75)76)34-56(43)87(55(42)33-38)65-63(46-13-1-3-15-49(46)85-51-17-5-9-21-59(51)89-60-22-10-6-18-52(60)85)48(37-83)64(47-14-2-4-16-50(47)86-53-19-7-11-23-61(53)90-62-24-12-8-20-54(62)86)66(84-65)88-57-35-40(69(77,78)79)27-31-44(57)45-32-28-41(36-58(45)88)70(80,81)82/h1-36H
InChIKeyRGGXSTNNJVDMCG-UHFFFAOYSA-N
MW1221.07 g/mol
LogP21.71
Rot. Bonds6

About 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile

2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile (PubChem CID 137368725) has the molecular formula C70H36F12N6O2 and a molecular weight of 1221.07 g/mol. Its IUPAC name is 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
PubChem CID137368725
Molecular FormulaC70H36F12N6O2
Molecular Weight1221.07 g/mol
Exact Mass1220.27
IUPAC Name2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2N2c3ccccc3Oc3ccccc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)nc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1-c1ccccc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C70H36F12N6O2/c71-67(72,73)38-25-29-42-43-30-26-39(68(74,75)76)34-56(43)87(55(42)33-38)65-63(46-13-1-3-15-49(46)85-51-17-5-9-21-59(51)89-60-22-10-6-18-52(60)85)48(37-83)64(47-14-2-4-16-50(47)86-53-19-7-11-23-61(53)90-62-24-12-8-20-54(62)86)66(84-65)88-57-35-40(69(77,78)79)27-31-44(57)45-32-28-41(36-58(45)88)70(80,81)82/h1-36H
InChIKeyRGGXSTNNJVDMCG-UHFFFAOYSA-N
XLogP21.71
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.07
LogP ≤ 521.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile
CID 137369277
2,3-bis(benzo[b]carbazol-5-yl)-5,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369012
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile
CID 137369356
4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-diphenyl-2,6-bis[2-(N-phenylanilino)phenyl]benzonitrile
CID 137369133
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146845706
2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146532465
2,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)pyridine-4-carbonitrile
CID 137368970
2,6-di(dibenzothiophen-1-yl)-3,4,5-tris[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137369199
2,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137392860
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666
2-[3,5-bis[2-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 162609734
4,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 147090698

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile?
The IUPAC name of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile (CID 137368725) is 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile is N#Cc1c(-c2ccccc2N2c3ccccc3Oc3ccccc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)nc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1-c1ccccc1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile?
The InChIKey is RGGXSTNNJVDMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H36F12N6O2/c71-67(72,73)38-25-29-42-43-30-26-39(68(74,75)76)34-56(43)87(55(42)33-38)65-63(46-13-1-3-15-49(46)85-51-17-5-9-21-59(51)89-60-22-10-6-18-52(60)85)48(37-83)64(47-14-2-4-16-50(47)86-53-19-7-11-23-61(53)90-62-24-12-8-20-54(62)86)66(84-65)88-57-35-40(69(77,78)79)27-31-44(57)45-32-28-41(36-58(45)88)70(80,81)82/h1-36H.
What are the key properties of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile?
2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile has a molecular weight of 1221.07 g/mol, XLogP of 21.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 137368725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).