3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile

C68H38F6N6O2 — CID 137369292

IUPAC3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1c(-c2cccc3c2N(c2ccccc2)c2ccccc2O3)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)nc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-c1cccc2c1N(c1ccccc1)c1ccccc1O2
InChIInChI=1S/C68H38F6N6O2/c69-67(70,71)40-33-35-46-44-21-7-9-25-51(44)79(55(46)37-40)65-61(48-23-15-31-59-63(48)77(42-17-3-1-4-18-42)53-27-11-13-29-57(53)81-59)50(39-75)62(66(76-65)80-52-26-10-8-22-45(52)47-36-34-41(38-56(47)80)68(72,73)74)49-24-16-32-60-64(49)78(43-19-5-2-6-20-43)54-28-12-14-30-58(54)82-60/h1-38H
InChIKeyJLPZNNFSJUJEJK-UHFFFAOYSA-N
MW1085.08 g/mol
LogP19.67
Rot. Bonds6

About 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile

3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (PubChem CID 137369292) has the molecular formula C68H38F6N6O2 and a molecular weight of 1085.08 g/mol. Its IUPAC name is 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
PubChem CID137369292
Molecular FormulaC68H38F6N6O2
Molecular Weight1085.08 g/mol
Exact Mass1084.30
IUPAC Name3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1c(-c2cccc3c2N(c2ccccc2)c2ccccc2O3)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)nc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-c1cccc2c1N(c1ccccc1)c1ccccc1O2
InChIInChI=1S/C68H38F6N6O2/c69-67(70,71)40-33-35-46-44-21-7-9-25-51(44)79(55(46)37-40)65-61(48-23-15-31-59-63(48)77(42-17-3-1-4-18-42)53-27-11-13-29-57(53)81-59)50(39-75)62(66(76-65)80-52-26-10-8-22-45(52)47-36-34-41(38-56(47)80)68(72,73)74)49-24-16-32-60-64(49)78(43-19-5-2-6-20-43)54-28-12-14-30-58(54)82-60/h1-38H
InChIKeyJLPZNNFSJUJEJK-UHFFFAOYSA-N
XLogP19.67
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.08
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,6-Bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 137368725
2,5-Bis(10-phenylphenoxazin-2-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368728
3,5-Bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,6-bis(2-phenoxazin-10-ylphenyl)-4-phenylbenzonitrile
CID 137368754
4,5-Bis(10-phenylphenoxazin-3-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 137368812
4,5-Bis(10-phenylphenoxazin-3-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 137368820
2,5-Bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4,6-bis(10-phenylphenoxazin-3-yl)benzene-1,3-dicarbonitrile
CID 137368934
4,6-Bis(10-phenylphenoxazin-2-yl)-2,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 137368982
3,4-Bis(10-phenylphenoxazin-2-yl)-5,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 137368990
4,5-Bis(10-phenylphenoxazin-3-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 137368998
2-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-3,5,6-tris(10-phenylphenoxazin-2-yl)pyridine-4-carbonitrile
CID 137369029
11-[9-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 146947275
11-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 147159013

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The IUPAC name of 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (CID 137369292) is 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is N#Cc1c(-c2cccc3c2N(c2ccccc2)c2ccccc2O3)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)nc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c1-c1cccc2c1N(c1ccccc1)c1ccccc1O2.
What is the InChIKey of 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The InChIKey is JLPZNNFSJUJEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38F6N6O2/c69-67(70,71)40-33-35-46-44-21-7-9-25-51(44)79(55(46)37-40)65-61(48-23-15-31-59-63(48)77(42-17-3-1-4-18-42)53-27-11-13-29-57(53)81-59)50(39-75)62(66(76-65)80-52-26-10-8-22-45(52)47-36-34-41(38-56(47)80)68(72,73)74)49-24-16-32-60-64(49)78(43-19-5-2-6-20-43)54-28-12-14-30-58(54)82-60/h1-38H.
What are the key properties of 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile has a molecular weight of 1085.08 g/mol, XLogP of 19.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 137369292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).