4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile

C173H137F18N11 — CID 134287666

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc4c5ccccc5n(-c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5C#N)c4cc3-n3c4ccccc4c4ccccc43)ccc1n2-c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc(C(C)(C)C)cc5c4c4ccc(C(C)(C)C)cc4n5-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)c4C#N)ccc32)c1C#N
InChIInChI=1S/C173H137F18N11/c1-160(2,3)103-50-59-142-129(80-103)131-82-108(166(19,20)90-101-70-128-123-40-28-34-46-141(123)200(157(128)89-146(101)196-138-43-31-25-37-120(138)121-38-26-32-44-139(121)196)150-74-99(96-65-113(170(180,181)182)78-114(66-96)171(183,184)185)73-149(134(150)93-193)199-140-45-33-27-39-122(140)126-58-54-117(88-156(126)199)195-136-41-29-23-35-118(136)119-36-24-30-42-137(119)195)52-61-144(131)197(142)147-71-98(95-63-111(168(174,175)176)77-112(64-95)169(177,178)179)72-148(133(147)92-192)198-143-60-51-104(161(4,5)6)81-130(143)132-83-109(53-62-145(132)198)167(21,22)91-102-69-110(165(16,17)18)87-158-159(102)127-57-49-107(164(13,14)15)86-155(127)202(158)152-76-100(97-67-115(172(186,187)188)79-116(68-97)173(189,190)191)75-151(135(152)94-194)201-153-84-105(162(7,8)9)47-55-124(153)125-56-48-106(85-154(125)201)163(10,11)12/h23-89H,90-91H2,1-22H3
InChIKeyBJTGRWFLGJZYJV-UHFFFAOYSA-N
MW2712.04 g/mol
LogP50.02
Rot. Bonds17

About 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile

4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile (PubChem CID 134287666) has the molecular formula C173H137F18N11 and a molecular weight of 2712.04 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile
PubChem CID134287666
Molecular FormulaC173H137F18N11
Molecular Weight2712.04 g/mol
Exact Mass2710.08
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc4c5ccccc5n(-c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5C#N)c4cc3-n3c4ccccc4c4ccccc43)ccc1n2-c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc(C(C)(C)C)cc5c4c4ccc(C(C)(C)C)cc4n5-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)c4C#N)ccc32)c1C#N
InChIInChI=1S/C173H137F18N11/c1-160(2,3)103-50-59-142-129(80-103)131-82-108(166(19,20)90-101-70-128-123-40-28-34-46-141(123)200(157(128)89-146(101)196-138-43-31-25-37-120(138)121-38-26-32-44-139(121)196)150-74-99(96-65-113(170(180,181)182)78-114(66-96)171(183,184)185)73-149(134(150)93-193)199-140-45-33-27-39-122(140)126-58-54-117(88-156(126)199)195-136-41-29-23-35-118(136)119-36-24-30-42-137(119)195)52-61-144(131)197(142)147-71-98(95-63-111(168(174,175)176)77-112(64-95)169(177,178)179)72-148(133(147)92-192)198-143-60-51-104(161(4,5)6)81-130(143)132-83-109(53-62-145(132)198)167(21,22)91-102-69-110(165(16,17)18)87-158-159(102)127-57-49-107(164(13,14)15)86-155(127)202(158)152-76-100(97-67-115(172(186,187)188)79-116(68-97)173(189,190)191)75-151(135(152)94-194)201-153-84-105(162(7,8)9)47-55-124(153)125-56-48-106(85-154(125)201)163(10,11)12/h23-89H,90-91H2,1-22H3
InChIKeyBJTGRWFLGJZYJV-UHFFFAOYSA-N
XLogP50.02
TPSA110.81 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002712.04
LogP ≤ 550.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile (CID 134287666) is 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc4c5ccccc5n(-c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5C#N)c4cc3-n3c4ccccc4c4ccccc43)ccc1n2-c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc(C(C)(C)C)cc5c4c4ccc(C(C)(C)C)cc4n5-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)c4C#N)ccc32)c1C#N.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile?
The InChIKey is BJTGRWFLGJZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C173H137F18N11/c1-160(2,3)103-50-59-142-129(80-103)131-82-108(166(19,20)90-101-70-128-123-40-28-34-46-141(123)200(157(128)89-146(101)196-138-43-31-25-37-120(138)121-38-26-32-44-139(121)196)150-74-99(96-65-113(170(180,181)182)78-114(66-96)171(183,184)185)73-149(134(150)93-193)199-140-45-33-27-39-122(140)126-58-54-117(88-156(126)199)195-136-41-29-23-35-118(136)119-36-24-30-42-137(119)195)52-61-144(131)197(142)147-71-98(95-63-111(168(174,175)176)77-112(64-95)169(177,178)179)72-148(133(147)92-192)198-143-60-51-104(161(4,5)6)81-130(143)132-83-109(53-62-145(132)198)167(21,22)91-102-69-110(165(16,17)18)87-158-159(102)127-57-49-107(164(13,14)15)86-155(127)202(158)152-76-100(97-67-115(172(186,187)188)79-116(68-97)173(189,190)191)75-151(135(152)94-194)201-153-84-105(162(7,8)9)47-55-124(153)125-56-48-106(85-154(125)201)163(10,11)12/h23-89H,90-91H2,1-22H3.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile?
4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile has a molecular weight of 2712.04 g/mol, XLogP of 50.02, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-6-[3-[1-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)phenyl]-2,7-ditert-butylcarbazol-4-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]benzonitrile is sourced from PubChem (CID 134287666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).