2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile

C100H50F6N6O4 — CID 137386371

IUPAC2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc4c5ccc(-c6cccc7c6oc6ccc8c9ccccc9n(-c9ccc(-c%10ccccc%10C(F)(F)F)c(-n%10c%11ccccc%11c%11ccc%12oc%13ccccc%13c%12c%11%10)c9C#N)c8c67)cc5oc4c32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C100H50F6N6O4/c101-99(102,103)75-28-9-1-18-55(75)63-42-46-81(73(51-107)90(63)111-79-32-13-5-21-58(79)66-44-48-85-88(93(66)111)71-25-8-16-35-84(71)113-85)109-77-30-11-3-20-57(77)65-45-49-86-89(92(65)109)72-27-17-26-54(96(72)115-86)53-36-37-62-70-41-38-67-59-22-4-12-31-78(59)110(94(67)97(70)116-87(62)50-53)82-47-43-64(56-19-2-10-29-76(56)100(104,105)106)91(74(82)52-108)112-80-33-14-6-23-60(80)68-39-40-69-61-24-7-15-34-83(61)114-98(69)95(68)112/h1-50H
InChIKeyFJTCJGFOLVZPBQ-UHFFFAOYSA-N
MW1513.53 g/mol
LogP28.45
Rot. Bonds7

About 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile

2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386371) has the molecular formula C100H50F6N6O4 and a molecular weight of 1513.53 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386371
Molecular FormulaC100H50F6N6O4
Molecular Weight1513.53 g/mol
Exact Mass1512.38
IUPAC Name2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc4c5ccc(-c6cccc7c6oc6ccc8c9ccccc9n(-c9ccc(-c%10ccccc%10C(F)(F)F)c(-n%10c%11ccccc%11c%11ccc%12oc%13ccccc%13c%12c%11%10)c9C#N)c8c67)cc5oc4c32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C100H50F6N6O4/c101-99(102,103)75-28-9-1-18-55(75)63-42-46-81(73(51-107)90(63)111-79-32-13-5-21-58(79)66-44-48-85-88(93(66)111)71-25-8-16-35-84(71)113-85)109-77-30-11-3-20-57(77)65-45-49-86-89(92(65)109)72-27-17-26-54(96(72)115-86)53-36-37-62-70-41-38-67-59-22-4-12-31-78(59)110(94(67)97(70)116-87(62)50-53)82-47-43-64(56-19-2-10-29-76(56)100(104,105)106)91(74(82)52-108)112-80-33-14-6-23-60(80)68-39-40-69-61-24-7-15-34-83(61)114-98(69)95(68)112/h1-50H
InChIKeyFJTCJGFOLVZPBQ-UHFFFAOYSA-N
XLogP28.45
TPSA119.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001513.53
LogP ≤ 528.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386371) is 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccccc3c3ccc4c5ccc(-c6cccc7c6oc6ccc8c9ccccc9n(-c9ccc(-c%10ccccc%10C(F)(F)F)c(-n%10c%11ccccc%11c%11ccc%12oc%13ccccc%13c%12c%11%10)c9C#N)c8c67)cc5oc4c32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.
What is the InChIKey of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is FJTCJGFOLVZPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H50F6N6O4/c101-99(102,103)75-28-9-1-18-55(75)63-42-46-81(73(51-107)90(63)111-79-32-13-5-21-58(79)66-44-48-85-88(93(66)111)71-25-8-16-35-84(71)113-85)109-77-30-11-3-20-57(77)65-45-49-86-89(92(65)109)72-27-17-26-54(96(72)115-86)53-36-37-62-70-41-38-67-59-22-4-12-31-78(59)110(94(67)97(70)116-87(62)50-53)82-47-43-64(56-19-2-10-29-76(56)100(104,105)106)91(74(82)52-108)112-80-33-14-6-23-60(80)68-39-40-69-61-24-7-15-34-83(61)114-98(69)95(68)112/h1-50H.
What are the key properties of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1513.53 g/mol, XLogP of 28.45, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).