2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile

C122H68F6N12 — CID 137381783

IUPAC2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)ccc4-c4cccc5c4c4cc(-c6cccc(-c7ccccc7)n6)ccc4n5-c4cc(-c5c(C#N)cccc5C(F)(F)F)c(-n5c6ccccc6c6cc(-c7cccc(-c8ccccc8)n7)ccc65)cc4C#N)cc32)c(-c2c(C#N)cccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21
InChIInChI=1S/C122H68F6N12/c123-121(124,125)96-39-19-33-81(69-129)117(96)94-67-111(83(71-131)65-115(94)137-107-49-18-15-37-87(107)92-61-77(53-59-108(92)137)101-44-22-41-98(133-101)73-25-5-1-6-26-73)138-109-60-54-78(102-45-23-42-99(134-102)74-27-7-2-8-28-74)62-93(109)119-90(38-21-50-110(119)138)91-57-58-104(76-31-11-4-12-32-76)136-120(91)80-52-56-89-86-36-14-17-48-106(86)140(114(89)64-80)116-66-84(72-132)112(68-95(116)118-82(70-130)34-20-40-97(118)122(126,127)128)139-105-47-16-13-35-85(105)88-55-51-79(63-113(88)139)103-46-24-43-100(135-103)75-29-9-3-10-30-75/h1-68H
InChIKeyAHQXRUQMWRGSDS-UHFFFAOYSA-N
MW1815.96 g/mol
LogP31.52
Rot. Bonds15

About 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile

2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (PubChem CID 137381783) has the molecular formula C122H68F6N12 and a molecular weight of 1815.96 g/mol. Its IUPAC name is 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
PubChem CID137381783
Molecular FormulaC122H68F6N12
Molecular Weight1815.96 g/mol
Exact Mass1814.56
IUPAC Name2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)ccc4-c4cccc5c4c4cc(-c6cccc(-c7ccccc7)n6)ccc4n5-c4cc(-c5c(C#N)cccc5C(F)(F)F)c(-n5c6ccccc6c6cc(-c7cccc(-c8ccccc8)n7)ccc65)cc4C#N)cc32)c(-c2c(C#N)cccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21
InChIInChI=1S/C122H68F6N12/c123-121(124,125)96-39-19-33-81(69-129)117(96)94-67-111(83(71-131)65-115(94)137-107-49-18-15-37-87(107)92-61-77(53-59-108(92)137)101-44-22-41-98(133-101)73-25-5-1-6-26-73)138-109-60-54-78(102-45-23-42-99(134-102)74-27-7-2-8-28-74)62-93(109)119-90(38-21-50-110(119)138)91-57-58-104(76-31-11-4-12-32-76)136-120(91)80-52-56-89-86-36-14-17-48-106(86)140(114(89)64-80)116-66-84(72-132)112(68-95(116)118-82(70-130)34-20-40-97(118)122(126,127)128)139-105-47-16-13-35-85(105)88-55-51-79(63-113(88)139)103-46-24-43-100(135-103)75-29-9-3-10-30-75/h1-68H
InChIKeyAHQXRUQMWRGSDS-UHFFFAOYSA-N
XLogP31.52
TPSA166.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001815.96
LogP ≤ 531.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (CID 137381783) is 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)ccc4-c4cccc5c4c4cc(-c6cccc(-c7ccccc7)n6)ccc4n5-c4cc(-c5c(C#N)cccc5C(F)(F)F)c(-n5c6ccccc6c6cc(-c7cccc(-c8ccccc8)n7)ccc65)cc4C#N)cc32)c(-c2c(C#N)cccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The InChIKey is AHQXRUQMWRGSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H68F6N12/c123-121(124,125)96-39-19-33-81(69-129)117(96)94-67-111(83(71-131)65-115(94)137-107-49-18-15-37-87(107)92-61-77(53-59-108(92)137)101-44-22-41-98(133-101)73-25-5-1-6-26-73)138-109-60-54-78(102-45-23-42-99(134-102)74-27-7-2-8-28-74)62-93(109)119-90(38-21-50-110(119)138)91-57-58-104(76-31-11-4-12-32-76)136-120(91)80-52-56-89-86-36-14-17-48-106(86)140(114(89)64-80)116-66-84(72-132)112(68-95(116)118-82(70-130)34-20-40-97(118)122(126,127)128)139-105-47-16-13-35-85(105)88-55-51-79(63-113(88)139)103-46-24-43-100(135-103)75-29-9-3-10-30-75/h1-68H.
What are the key properties of 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile has a molecular weight of 1815.96 g/mol, XLogP of 31.52, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[9-[5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenyl-3-pyridinyl]-3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 137381783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).