2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile

C83H49F6N7 — CID 146520059

IUPAC2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccc(-c3ccc(-c4ccccc4)nc3)cc2c2cc(-c3ccc(-c4ccccc4)nc3)ccc21
InChIInChI=1S/C83H49F6N7/c84-82(85,86)69-22-13-23-70(83(87,88)89)80(69)63-32-41-79(95-75-37-28-55(59-24-33-71(91-47-59)51-14-5-1-6-15-51)42-64(75)65-43-56(29-38-76(65)95)60-25-34-72(92-48-60)52-16-7-2-8-17-52)68(46-90)81(63)96-77-39-30-57(61-26-35-73(93-49-61)53-18-9-3-10-19-53)44-66(77)67-45-58(31-40-78(67)96)62-27-36-74(94-50-62)54-20-11-4-12-21-54/h1-45,47-50H
InChIKeyZKUNSPDEPUTBBZ-UHFFFAOYSA-N
MW1258.34 g/mol
LogP22.37
Rot. Bonds11

About 2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile

2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (PubChem CID 146520059) has the molecular formula C83H49F6N7 and a molecular weight of 1258.34 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
PubChem CID146520059
Molecular FormulaC83H49F6N7
Molecular Weight1258.34 g/mol
Exact Mass1257.40
IUPAC Name2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccc(-c3ccc(-c4ccccc4)nc3)cc2c2cc(-c3ccc(-c4ccccc4)nc3)ccc21
InChIInChI=1S/C83H49F6N7/c84-82(85,86)69-22-13-23-70(83(87,88)89)80(69)63-32-41-79(95-75-37-28-55(59-24-33-71(91-47-59)51-14-5-1-6-15-51)42-64(75)65-43-56(29-38-76(65)95)60-25-34-72(92-48-60)52-16-7-2-8-17-52)68(46-90)81(63)96-77-39-30-57(61-26-35-73(93-49-61)53-18-9-3-10-19-53)44-66(77)67-45-58(31-40-78(67)96)62-27-36-74(94-50-62)54-20-11-4-12-21-54/h1-45,47-50H
InChIKeyZKUNSPDEPUTBBZ-UHFFFAOYSA-N
XLogP22.37
TPSA85.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.34
LogP ≤ 522.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 142508809
2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386391
4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 137392575
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 146519991
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 146520993
4-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 162110068
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 137392931
2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 162571597
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146520055
9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
CID 154960852
2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386428
3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 137381588

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (CID 146520059) is 2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccc(-c3ccc(-c4ccccc4)nc3)cc2c2cc(-c3ccc(-c4ccccc4)nc3)ccc21.
What is the InChIKey of 2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is ZKUNSPDEPUTBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H49F6N7/c84-82(85,86)69-22-13-23-70(83(87,88)89)80(69)63-32-41-79(95-75-37-28-55(59-24-33-71(91-47-59)51-14-5-1-6-15-51)42-64(75)65-43-56(29-38-76(65)95)60-25-34-72(92-48-60)52-16-7-2-8-17-52)68(46-90)81(63)96-77-39-30-57(61-26-35-73(93-49-61)53-18-9-3-10-19-53)44-66(77)67-45-58(31-40-78(67)96)62-27-36-74(94-50-62)54-20-11-4-12-21-54/h1-45,47-50H.
What are the key properties of 2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1258.34 g/mol, XLogP of 22.37, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 146520059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).