3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile

C132H78F12N8 — CID 138498994

IUPAC3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(C#N)cc1-c1cc(-c2c(C(F)(F)F)ccc(-c3ccc(C(F)(F)F)c(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c(-c5cc(C#N)ccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c3C(F)(F)F)c2C(F)(F)F)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C
InChIInChI=1S/C132H78F12N8/c1-127(2)97-39-19-11-31-79(97)83-53-63-111-117(121(83)127)89-35-15-23-43-103(89)149(111)107-59-47-73(71-145)67-93(107)95-69-75(49-61-109(95)150-104-44-24-16-36-90(104)118-112(150)64-54-84-80-32-12-20-40-98(80)128(3,4)122(84)118)115-99(129(133,134)135)57-51-85(123(115)131(139,140)141)86-52-58-100(130(136,137)138)116(124(86)132(142,143)144)76-50-62-110(152-106-46-26-18-38-92(106)120-114(152)66-56-88-82-34-14-22-42-102(82)148(126(88)120)78-29-9-6-10-30-78)96(70-76)94-68-74(72-146)48-60-108(94)151-105-45-25-17-37-91(105)119-113(151)65-55-87-81-33-13-21-41-101(81)147(125(87)119)77-27-7-5-8-28-77/h5-70H,1-4H3
InChIKeyDDEZQYWVEHSYOG-UHFFFAOYSA-N
MW2004.11 g/mol
LogP37.04
Rot. Bonds11

About 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile

3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile (PubChem CID 138498994) has the molecular formula C132H78F12N8 and a molecular weight of 2004.11 g/mol. Its IUPAC name is 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
PubChem CID138498994
Molecular FormulaC132H78F12N8
Molecular Weight2004.11 g/mol
Exact Mass2002.62
IUPAC Name3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(C#N)cc1-c1cc(-c2c(C(F)(F)F)ccc(-c3ccc(C(F)(F)F)c(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c(-c5cc(C#N)ccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c3C(F)(F)F)c2C(F)(F)F)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C
InChIInChI=1S/C132H78F12N8/c1-127(2)97-39-19-11-31-79(97)83-53-63-111-117(121(83)127)89-35-15-23-43-103(89)149(111)107-59-47-73(71-145)67-93(107)95-69-75(49-61-109(95)150-104-44-24-16-36-90(104)118-112(150)64-54-84-80-32-12-20-40-98(80)128(3,4)122(84)118)115-99(129(133,134)135)57-51-85(123(115)131(139,140)141)86-52-58-100(130(136,137)138)116(124(86)132(142,143)144)76-50-62-110(152-106-46-26-18-38-92(106)120-114(152)66-56-88-82-34-14-22-42-102(82)148(126(88)120)78-29-9-6-10-30-78)96(70-76)94-68-74(72-146)48-60-108(94)151-105-45-25-17-37-91(105)119-113(151)65-55-87-81-33-13-21-41-101(81)147(125(87)119)77-27-7-5-8-28-77/h5-70H,1-4H3
InChIKeyDDEZQYWVEHSYOG-UHFFFAOYSA-N
XLogP37.04
TPSA77.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002004.11
LogP ≤ 537.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile (CID 138498994) is 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(C#N)cc1-c1cc(-c2c(C(F)(F)F)ccc(-c3ccc(C(F)(F)F)c(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c(-c5cc(C#N)ccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c3C(F)(F)F)c2C(F)(F)F)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.
What is the InChIKey of 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is DDEZQYWVEHSYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H78F12N8/c1-127(2)97-39-19-11-31-79(97)83-53-63-111-117(121(83)127)89-35-15-23-43-103(89)149(111)107-59-47-73(71-145)67-93(107)95-69-75(49-61-109(95)150-104-44-24-16-36-90(104)118-112(150)64-54-84-80-32-12-20-40-98(80)128(3,4)122(84)118)115-99(129(133,134)135)57-51-85(123(115)131(139,140)141)86-52-58-100(130(136,137)138)116(124(86)132(142,143)144)76-50-62-110(152-106-46-26-18-38-92(106)120-114(152)66-56-88-82-34-14-22-42-102(82)148(126(88)120)78-29-9-6-10-30-78)96(70-76)94-68-74(72-146)48-60-108(94)151-105-45-25-17-37-91(105)119-113(151)65-55-87-81-33-13-21-41-101(81)147(125(87)119)77-27-7-5-8-28-77/h5-70H,1-4H3.
What are the key properties of 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 2004.11 g/mol, XLogP of 37.04, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[3-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 138498994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).