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

C167H137F18N11 — CID 162572242

IUPAC3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole
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)n5)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)Cc4cc5c6ccc(C(C)(C)C)cc6n(-c6cc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)cc(-n7c8cc(C(C)(C)C)ccc8c8ccc(C(C)(C)C)cc87)n6)c5cc4C(C)(C)C)ccc32)n1
InChIInChI=1S/C167H137F18N11/c1-154(2,3)100-50-59-137-126(80-100)128-82-105(160(19,20)90-98-69-124-123-57-49-104(158(13,14)15)86-144(123)196(146(124)88-130(98)159(16,17)18)153-76-97(94-67-111(166(180,181)182)79-112(68-94)167(183,184)185)75-152(188-153)195-142-84-102(156(7,8)9)47-55-120(142)121-56-48-103(85-143(121)195)157(10,11)12)52-61-139(128)191(137)148-71-95(92-63-107(162(168,169)170)77-108(64-92)163(171,172)173)72-149(186-148)192-138-60-51-101(155(4,5)6)81-127(138)129-83-106(53-62-140(129)192)161(21,22)91-99-70-125-119-40-28-34-46-136(119)194(147(125)89-141(99)190-133-43-31-25-37-116(133)117-38-26-32-44-134(117)190)151-74-96(93-65-109(164(174,175)176)78-110(66-93)165(177,178)179)73-150(187-151)193-135-45-33-27-39-118(135)122-58-54-113(87-145(122)193)189-131-41-29-23-35-114(131)115-36-24-30-42-132(115)189/h23-89H,90-91H2,1-22H3
InChIKeyYSEFBFOQVGRECV-UHFFFAOYSA-N
MW2639.97 g/mol
LogP48.59
Rot. Bonds17

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

3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole (PubChem CID 162572242) has the molecular formula C167H137F18N11 and a molecular weight of 2639.97 g/mol. Its IUPAC name is 3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole.

Molecular Properties

Compound Name3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole
PubChem CID162572242
Molecular FormulaC167H137F18N11
Molecular Weight2639.97 g/mol
Exact Mass2638.08
IUPAC Name3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole
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)n5)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)Cc4cc5c6ccc(C(C)(C)C)cc6n(-c6cc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)cc(-n7c8cc(C(C)(C)C)ccc8c8ccc(C(C)(C)C)cc87)n6)c5cc4C(C)(C)C)ccc32)n1
InChIInChI=1S/C167H137F18N11/c1-154(2,3)100-50-59-137-126(80-100)128-82-105(160(19,20)90-98-69-124-123-57-49-104(158(13,14)15)86-144(123)196(146(124)88-130(98)159(16,17)18)153-76-97(94-67-111(166(180,181)182)79-112(68-94)167(183,184)185)75-152(188-153)195-142-84-102(156(7,8)9)47-55-120(142)121-56-48-103(85-143(121)195)157(10,11)12)52-61-139(128)191(137)148-71-95(92-63-107(162(168,169)170)77-108(64-92)163(171,172)173)72-149(186-148)192-138-60-51-101(155(4,5)6)81-127(138)129-83-106(53-62-140(129)192)161(21,22)91-99-70-125-119-40-28-34-46-136(119)194(147(125)89-141(99)190-133-43-31-25-37-116(133)117-38-26-32-44-134(117)190)151-74-96(93-65-109(164(174,175)176)78-110(66-93)165(177,178)179)73-150(187-151)193-135-45-33-27-39-118(135)122-58-54-113(87-145(122)193)189-131-41-29-23-35-114(131)115-36-24-30-42-132(115)189/h23-89H,90-91H2,1-22H3
InChIKeyYSEFBFOQVGRECV-UHFFFAOYSA-N
XLogP48.59
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002639.97
LogP ≤ 548.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]-2,7-ditert-butylcarbazole
CID 162614863
9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-tert-butylcarbazol-9-yl)-2-pyridinyl]-2-tert-butylcarbazole
CID 146393925
9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole
CID 146393939
2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile
CID 163779868
4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146544352
4-[3-tert-butyl-6-[1-[9-[9-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-4-pyridin-4-ylphenyl]carbazol-2-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292580
2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]-7-[5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazole
CID 156509701
3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
CID 146626081
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 134300622
4-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-ditert-butylcarbazol-9-yl)-5-(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 134300623
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
[4-carbazol-9-yl-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]boronic acid
CID 170671335

Frequently Asked Questions

What is the IUPAC name of 3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole?
The IUPAC name of 3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole (CID 162572242) is 3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole.
What is the SMILES notation for 3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole?
The canonical SMILES for 3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole 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)n5)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)Cc4cc5c6ccc(C(C)(C)C)cc6n(-c6cc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)cc(-n7c8cc(C(C)(C)C)ccc8c8ccc(C(C)(C)C)cc87)n6)c5cc4C(C)(C)C)ccc32)n1.
What is the InChIKey of 3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole?
The InChIKey is YSEFBFOQVGRECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C167H137F18N11/c1-154(2,3)100-50-59-137-126(80-100)128-82-105(160(19,20)90-98-69-124-123-57-49-104(158(13,14)15)86-144(123)196(146(124)88-130(98)159(16,17)18)153-76-97(94-67-111(166(180,181)182)79-112(68-94)167(183,184)185)75-152(188-153)195-142-84-102(156(7,8)9)47-55-120(142)121-56-48-103(85-143(121)195)157(10,11)12)52-61-139(128)191(137)148-71-95(92-63-107(162(168,169)170)77-108(64-92)163(171,172)173)72-149(186-148)192-138-60-51-101(155(4,5)6)81-127(138)129-83-106(53-62-140(129)192)161(21,22)91-99-70-125-119-40-28-34-46-136(119)194(147(125)89-141(99)190-133-43-31-25-37-116(133)117-38-26-32-44-134(117)190)151-74-96(93-65-109(164(174,175)176)78-110(66-93)165(177,178)179)73-150(187-151)193-135-45-33-27-39-118(135)122-58-54-113(87-145(122)193)189-131-41-29-23-35-114(131)115-36-24-30-42-132(115)189/h23-89H,90-91H2,1-22H3.
What are the key properties of 3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole?
3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole has a molecular weight of 2639.97 g/mol, XLogP of 48.59, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole is sourced from PubChem (CID 162572242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).