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

C68H38F6N6 — CID 137368855

IUPAC2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-c2cccc3c2c2ccccc2n3-c2ccccc2)nc(-c2cccc3c2c2ccccc2n3-c2ccccc2)c1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C68H38F6N6/c69-67(70,71)40-33-35-57-50(37-40)44-21-7-11-27-53(44)79(57)65-52(39-75)66(80-54-28-12-8-22-45(54)51-38-41(68(72,73)74)34-36-58(51)80)64(49-26-16-32-60-62(49)47-24-10-14-30-56(47)78(60)43-19-5-2-6-20-43)76-63(65)48-25-15-31-59-61(48)46-23-9-13-29-55(46)77(59)42-17-3-1-4-18-42/h1-38H
InChIKeyJFDAUDCCZDOLGG-UHFFFAOYSA-N
MW1053.08 g/mol
LogP18.71
Rot. Bonds6

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

2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (PubChem CID 137368855) has the molecular formula C68H38F6N6 and a molecular weight of 1053.08 g/mol. Its IUPAC name is 2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
PubChem CID137368855
Molecular FormulaC68H38F6N6
Molecular Weight1053.08 g/mol
Exact Mass1052.31
IUPAC Name2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-c2cccc3c2c2ccccc2n3-c2ccccc2)nc(-c2cccc3c2c2ccccc2n3-c2ccccc2)c1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C68H38F6N6/c69-67(70,71)40-33-35-57-50(37-40)44-21-7-11-27-53(44)79(57)65-52(39-75)66(80-54-28-12-8-22-45(54)51-38-41(68(72,73)74)34-36-58(51)80)64(49-26-16-32-60-62(49)47-24-10-14-30-56(47)78(60)43-19-5-2-6-20-43)76-63(65)48-25-15-31-59-61(48)46-23-9-13-29-55(46)77(59)42-17-3-1-4-18-42/h1-38H
InChIKeyJFDAUDCCZDOLGG-UHFFFAOYSA-N
XLogP18.71
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.08
LogP ≤ 518.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile
CID 137369356
2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368747
3,4-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-5,6-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
CID 137368920
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
2-[3-(2-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile
CID 153260817
2-[3-tert-butyl-5-(6-tert-butyl-9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418240
2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146532465
2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386767
2-[3-(2-cyanophenyl)-5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile
CID 155446470
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
2,3-bis(benzo[b]carbazol-5-yl)-5,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369012

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The IUPAC name of 2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (CID 137368855) is 2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is N#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-c2cccc3c2c2ccccc2n3-c2ccccc2)nc(-c2cccc3c2c2ccccc2n3-c2ccccc2)c1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The InChIKey is JFDAUDCCZDOLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38F6N6/c69-67(70,71)40-33-35-57-50(37-40)44-21-7-11-27-53(44)79(57)65-52(39-75)66(80-54-28-12-8-22-45(54)51-38-41(68(72,73)74)34-36-58(51)80)64(49-26-16-32-60-62(49)47-24-10-14-30-56(47)78(60)43-19-5-2-6-20-43)76-63(65)48-25-15-31-59-61(48)46-23-9-13-29-55(46)77(59)42-17-3-1-4-18-42/h1-38H.
What are the key properties of 2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile has a molecular weight of 1053.08 g/mol, XLogP of 18.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(9-phenylcarbazol-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 137368855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).