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

C167H137F9N14 — CID 146394086

IUPAC3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc4c5ccc(C(C)(C)C)cc5n(-c5cnc(-n6c7cc(C(C)(C)C)ccc7c7ccc(C(C)(C)C)cc76)cc5-c5cc(C#N)cc(C(F)(F)F)c5)c4cc3C(C)(C)C)ccc1n2-c1cc(-c2cc(C#N)cc(C(F)(F)F)c2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc5c6ccccc6n(-c6cc(-c7cc(C#N)cc(C(F)(F)F)c7)c(-n7c8ccccc8c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc87)cn6)c5cc4-n4c5ccccc5c5ccccc54)ccc32)cn1
InChIInChI=1S/C167H137F9N14/c1-157(2,3)103-50-59-140-129(74-103)131-76-109(164(21,22)88-102-73-128-119-40-28-34-46-139(119)189(150(128)86-144(102)184-136-43-31-25-37-116(136)117-38-26-32-44-137(117)184)155-83-125(99-64-96(90-178)67-111(70-99)166(171,172)173)152(93-181-155)186-138-45-33-27-39-118(138)122-58-54-113(81-148(122)186)183-134-41-29-23-35-114(134)115-36-24-30-42-135(115)183)52-61-141(131)185(140)151-92-180-154(82-124(151)98-63-95(89-177)66-110(69-98)165(168,169)170)188-142-60-51-104(158(4,5)6)75-130(142)132-77-108(53-62-143(132)188)163(19,20)87-101-72-127-123-57-49-105(159(7,8)9)78-145(123)187(149(127)85-133(101)162(16,17)18)153-94-182-156(84-126(153)100-65-97(91-179)68-112(71-100)167(174,175)176)190-146-79-106(160(10,11)12)47-55-120(146)121-56-48-107(80-147(121)190)161(13,14)15/h23-86,92-94H,87-88H2,1-22H3
InChIKeyODCTWSHGQKGMPJ-UHFFFAOYSA-N
MW2511.01 g/mol
LogP45.15
Rot. Bonds17

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

3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile (PubChem CID 146394086) has the molecular formula C167H137F9N14 and a molecular weight of 2511.01 g/mol. Its IUPAC name is 3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
PubChem CID146394086
Molecular FormulaC167H137F9N14
Molecular Weight2511.01 g/mol
Exact Mass2509.10
IUPAC Name3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc4c5ccc(C(C)(C)C)cc5n(-c5cnc(-n6c7cc(C(C)(C)C)ccc7c7ccc(C(C)(C)C)cc76)cc5-c5cc(C#N)cc(C(F)(F)F)c5)c4cc3C(C)(C)C)ccc1n2-c1cc(-c2cc(C#N)cc(C(F)(F)F)c2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc5c6ccccc6n(-c6cc(-c7cc(C#N)cc(C(F)(F)F)c7)c(-n7c8ccccc8c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc87)cn6)c5cc4-n4c5ccccc5c5ccccc54)ccc32)cn1
InChIInChI=1S/C167H137F9N14/c1-157(2,3)103-50-59-140-129(74-103)131-76-109(164(21,22)88-102-73-128-119-40-28-34-46-139(119)189(150(128)86-144(102)184-136-43-31-25-37-116(136)117-38-26-32-44-137(117)184)155-83-125(99-64-96(90-178)67-111(70-99)166(171,172)173)152(93-181-155)186-138-45-33-27-39-118(138)122-58-54-113(81-148(122)186)183-134-41-29-23-35-114(134)115-36-24-30-42-135(115)183)52-61-141(131)185(140)151-92-180-154(82-124(151)98-63-95(89-177)66-110(69-98)165(168,169)170)188-142-60-51-104(158(4,5)6)75-130(142)132-77-108(53-62-143(132)188)163(19,20)87-101-72-127-123-57-49-105(159(7,8)9)78-145(123)187(149(127)85-133(101)162(16,17)18)153-94-182-156(84-126(153)100-65-97(91-179)68-112(71-100)167(174,175)176)190-146-79-106(160(10,11)12)47-55-120(146)121-56-48-107(80-147(121)190)161(13,14)15/h23-86,92-94H,87-88H2,1-22H3
InChIKeyODCTWSHGQKGMPJ-UHFFFAOYSA-N
XLogP45.15
TPSA149.48 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.01
LogP ≤ 545.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile (CID 146394086) is 3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc4c5ccc(C(C)(C)C)cc5n(-c5cnc(-n6c7cc(C(C)(C)C)ccc7c7ccc(C(C)(C)C)cc76)cc5-c5cc(C#N)cc(C(F)(F)F)c5)c4cc3C(C)(C)C)ccc1n2-c1cc(-c2cc(C#N)cc(C(F)(F)F)c2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc5c6ccccc6n(-c6cc(-c7cc(C#N)cc(C(F)(F)F)c7)c(-n7c8ccccc8c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc87)cn6)c5cc4-n4c5ccccc5c5ccccc54)ccc32)cn1.
What is the InChIKey of 3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
The InChIKey is ODCTWSHGQKGMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C167H137F9N14/c1-157(2,3)103-50-59-140-129(74-103)131-76-109(164(21,22)88-102-73-128-119-40-28-34-46-139(119)189(150(128)86-144(102)184-136-43-31-25-37-116(136)117-38-26-32-44-137(117)184)155-83-125(99-64-96(90-178)67-111(70-99)166(171,172)173)152(93-181-155)186-138-45-33-27-39-118(138)122-58-54-113(81-148(122)186)183-134-41-29-23-35-114(134)115-36-24-30-42-135(115)183)52-61-141(131)185(140)151-92-180-154(82-124(151)98-63-95(89-177)66-110(69-98)165(168,169)170)188-142-60-51-104(158(4,5)6)75-130(142)132-77-108(53-62-143(132)188)163(19,20)87-101-72-127-123-57-49-105(159(7,8)9)78-145(123)187(149(127)85-133(101)162(16,17)18)153-94-182-156(84-126(153)100-65-97(91-179)68-112(71-100)167(174,175)176)190-146-79-106(160(10,11)12)47-55-120(146)121-56-48-107(80-147(121)190)161(13,14)15/h23-86,92-94H,87-88H2,1-22H3.
What are the key properties of 3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile has a molecular weight of 2511.01 g/mol, XLogP of 45.15, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[5-(2-carbazol-9-ylcarbazol-9-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 146394086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).