4-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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

C172H135F18N11 — CID 134287640

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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)Cc3cc(C(C)(C)C)cc4c3c3ccc(C(C)(C)C)cc3n4-c3cc(C#N)cc(-n4c5cc(C(C)(C)C)ccc5c5ccc(C(C)(C)C)cc54)c3-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc1n2-c1cc(C#N)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)c4cccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8cc(C#N)cc(-n9c%10ccccc%10c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%109)c8-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)c7c6)c45)ccc32)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C172H135F18N11/c1-159(2,3)101-49-60-138-128(80-101)130-82-106(165(19,20)90-100-76-108(164(16,17)18)87-153-154(100)127-57-48-105(163(13,14)15)86-144(127)201(153)152-69-96(93-193)68-151(157(152)99-74-113(171(185,186)187)79-114(75-99)172(188,189)190)200-142-84-103(161(7,8)9)46-55-122(142)123-56-47-104(85-143(123)200)162(10,11)12)51-62-140(130)196(138)147-64-94(91-191)65-148(155(147)97-70-109(167(173,174)175)77-110(71-97)168(176,177)178)197-139-61-50-102(160(4,5)6)81-129(139)131-83-107(52-63-141(131)197)166(21,22)132-40-33-39-126-121-38-27-30-43-135(121)195(158(126)132)116-54-59-125-120-37-26-32-45-137(120)199(146(125)89-116)150-67-95(92-192)66-149(156(150)98-72-111(169(179,180)181)78-112(73-98)170(182,183)184)198-136-44-31-25-36-119(136)124-58-53-115(88-145(124)198)194-133-41-28-23-34-117(133)118-35-24-29-42-134(118)194/h23-89H,90H2,1-22H3
InChIKeyMUDAMKVFPRMTLT-UHFFFAOYSA-N
MW2698.01 g/mol
LogP49.82
Rot. Bonds16

About 4-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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 134287640) has the molecular formula C172H135F18N11 and a molecular weight of 2698.01 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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 CID134287640
Molecular FormulaC172H135F18N11
Molecular Weight2698.01 g/mol
Exact Mass2696.06
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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)Cc3cc(C(C)(C)C)cc4c3c3ccc(C(C)(C)C)cc3n4-c3cc(C#N)cc(-n4c5cc(C(C)(C)C)ccc5c5ccc(C(C)(C)C)cc54)c3-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc1n2-c1cc(C#N)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)c4cccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8cc(C#N)cc(-n9c%10ccccc%10c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%109)c8-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)c7c6)c45)ccc32)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C172H135F18N11/c1-159(2,3)101-49-60-138-128(80-101)130-82-106(165(19,20)90-100-76-108(164(16,17)18)87-153-154(100)127-57-48-105(163(13,14)15)86-144(127)201(153)152-69-96(93-193)68-151(157(152)99-74-113(171(185,186)187)79-114(75-99)172(188,189)190)200-142-84-103(161(7,8)9)46-55-122(142)123-56-47-104(85-143(123)200)162(10,11)12)51-62-140(130)196(138)147-64-94(91-191)65-148(155(147)97-70-109(167(173,174)175)77-110(71-97)168(176,177)178)197-139-61-50-102(160(4,5)6)81-129(139)131-83-107(52-63-141(131)197)166(21,22)132-40-33-39-126-121-38-27-30-43-135(121)195(158(126)132)116-54-59-125-120-37-26-32-45-137(120)199(146(125)89-116)150-67-95(92-192)66-149(156(150)98-72-111(169(179,180)181)78-112(73-98)170(182,183)184)198-136-44-31-25-36-119(136)124-58-53-115(88-145(124)198)194-133-41-28-23-34-117(133)118-35-24-29-42-134(118)194/h23-89H,90H2,1-22H3
InChIKeyMUDAMKVFPRMTLT-UHFFFAOYSA-N
XLogP49.82
TPSA110.81 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002698.01
LogP ≤ 549.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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 134287640) is 4-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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)Cc3cc(C(C)(C)C)cc4c3c3ccc(C(C)(C)C)cc3n4-c3cc(C#N)cc(-n4c5cc(C(C)(C)C)ccc5c5ccc(C(C)(C)C)cc54)c3-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc1n2-c1cc(C#N)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)c4cccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8cc(C#N)cc(-n9c%10ccccc%10c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%109)c8-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)c7c6)c45)ccc32)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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 MUDAMKVFPRMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C172H135F18N11/c1-159(2,3)101-49-60-138-128(80-101)130-82-106(165(19,20)90-100-76-108(164(16,17)18)87-153-154(100)127-57-48-105(163(13,14)15)86-144(127)201(153)152-69-96(93-193)68-151(157(152)99-74-113(171(185,186)187)79-114(75-99)172(188,189)190)200-142-84-103(161(7,8)9)46-55-122(142)123-56-47-104(85-143(123)200)162(10,11)12)51-62-140(130)196(138)147-64-94(91-191)65-148(155(147)97-70-109(167(173,174)175)77-110(71-97)168(176,177)178)197-139-61-50-102(160(4,5)6)81-129(139)131-83-107(52-63-141(131)197)166(21,22)132-40-33-39-126-121-38-27-30-43-135(121)195(158(126)132)116-54-59-125-120-37-26-32-45-137(120)199(146(125)89-116)150-67-95(92-192)66-149(156(150)98-72-111(169(179,180)181)78-112(73-98)170(182,183)184)198-136-44-31-25-36-119(136)124-58-53-115(88-145(124)198)194-133-41-28-23-34-117(133)118-35-24-29-42-134(118)194/h23-89H,90H2,1-22H3.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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 2698.01 g/mol, XLogP of 49.82, 16 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]-3-[3-[2-[9-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-3-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]carbazol-2-yl]carbazol-1-yl]propan-2-yl]-6-tert-butylcarbazol-9-yl]-5-[3-[1-[9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-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 134287640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).