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

C167H137F18N11 — CID 162614863

IUPAC3-[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
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(F)(F)F)cc(C(F)(F)F)c5)c4cc3C(C)(C)C)ccc1n2-c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc5c6ccccc6n(-c6cc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)c(-n7c8ccccc8c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc87)cn6)c5cc4-n4c5ccccc5c5ccccc54)ccc32)cn1
InChIInChI=1S/C167H137F18N11/c1-154(2,3)97-50-59-137-126(74-97)128-76-103(161(21,22)88-96-70-125-116-40-28-34-46-136(116)195(147(125)86-141(96)190-133-43-31-25-37-113(133)114-38-26-32-44-134(114)190)152-83-122(93-65-106(164(174,175)176)72-107(66-93)165(177,178)179)149(90-187-152)192-135-45-33-27-39-115(135)119-58-54-110(81-145(119)192)189-131-41-29-23-35-111(131)112-36-24-30-42-132(112)189)52-61-138(128)191(137)148-89-186-151(82-121(148)92-63-104(162(168,169)170)71-105(64-92)163(171,172)173)194-139-60-51-98(155(4,5)6)75-127(139)129-77-102(53-62-140(129)194)160(19,20)87-95-69-124-120-57-49-99(156(7,8)9)78-142(120)193(146(124)85-130(95)159(16,17)18)150-91-188-153(84-123(150)94-67-108(166(180,181)182)73-109(68-94)167(183,184)185)196-143-79-100(157(10,11)12)47-55-117(143)118-56-48-101(80-144(118)196)158(13,14)15/h23-86,89-91H,87-88H2,1-22H3
InChIKeyOQSCQTXWPGFMRO-UHFFFAOYSA-N
MW2639.97 g/mol
LogP48.59
Rot. Bonds17

About 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

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 (PubChem CID 162614863) 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]-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.

Molecular Properties

Compound Name3-[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
PubChem CID162614863
Molecular FormulaC167H137F18N11
Molecular Weight2639.97 g/mol
Exact Mass2638.08
IUPAC Name3-[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
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(F)(F)F)cc(C(F)(F)F)c5)c4cc3C(C)(C)C)ccc1n2-c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc5c6ccccc6n(-c6cc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)c(-n7c8ccccc8c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc87)cn6)c5cc4-n4c5ccccc5c5ccccc54)ccc32)cn1
InChIInChI=1S/C167H137F18N11/c1-154(2,3)97-50-59-137-126(74-97)128-76-103(161(21,22)88-96-70-125-116-40-28-34-46-136(116)195(147(125)86-141(96)190-133-43-31-25-37-113(133)114-38-26-32-44-134(114)190)152-83-122(93-65-106(164(174,175)176)72-107(66-93)165(177,178)179)149(90-187-152)192-135-45-33-27-39-115(135)119-58-54-110(81-145(119)192)189-131-41-29-23-35-111(131)112-36-24-30-42-132(112)189)52-61-138(128)191(137)148-89-186-151(82-121(148)92-63-104(162(168,169)170)71-105(64-92)163(171,172)173)194-139-60-51-98(155(4,5)6)75-127(139)129-77-102(53-62-140(129)194)160(19,20)87-95-69-124-120-57-49-99(156(7,8)9)78-142(120)193(146(124)85-130(95)159(16,17)18)150-91-188-153(84-123(150)94-67-108(166(180,181)182)73-109(68-94)167(183,184)185)196-143-79-100(157(10,11)12)47-55-117(143)118-56-48-101(80-144(118)196)158(13,14)15/h23-86,89-91H,87-88H2,1-22H3
InChIKeyOQSCQTXWPGFMRO-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]-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 with MolForge

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Related Compounds

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
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
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
9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-tert-butylcarbazol-9-yl)-2-pyridinyl]-2-tert-butylcarbazole
CID 146393925
3,6-ditert-butyl-9-[9-[5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]carbazol-3-yl]carbazole
CID 163857203
3,6-di(carbazol-9-yl)-9-[5-[3-(1,2-dihydrocarbazol-9-yl)-6-[3-[9-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-[6-[9-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-2-pyridinyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole
CID 146393952
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
4-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-ditert-butylcarbazol-9-yl)-5-(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 134300623
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 134300622
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
2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 142452400
3,6-ditert-butyl-9-[4-[4-(4-carbazol-9-ylphenyl)-2,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]carbazole
CID 146556924

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(F)(F)F)cc(C(F)(F)F)c5)c4cc3C(C)(C)C)ccc1n2-c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc5c6ccccc6n(-c6cc(-c7cc(C(F)(F)F)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-[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?
The InChIKey is OQSCQTXWPGFMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C167H137F18N11/c1-154(2,3)97-50-59-137-126(74-97)128-76-103(161(21,22)88-96-70-125-116-40-28-34-46-136(116)195(147(125)86-141(96)190-133-43-31-25-37-113(133)114-38-26-32-44-134(114)190)152-83-122(93-65-106(164(174,175)176)72-107(66-93)165(177,178)179)149(90-187-152)192-135-45-33-27-39-115(135)119-58-54-110(81-145(119)192)189-131-41-29-23-35-111(131)112-36-24-30-42-132(112)189)52-61-138(128)191(137)148-89-186-151(82-121(148)92-63-104(162(168,169)170)71-105(64-92)163(171,172)173)194-139-60-51-98(155(4,5)6)75-127(139)129-77-102(53-62-140(129)194)160(19,20)87-95-69-124-120-57-49-99(156(7,8)9)78-142(120)193(146(124)85-130(95)159(16,17)18)150-91-188-153(84-123(150)94-67-108(166(180,181)182)73-109(68-94)167(183,184)185)196-143-79-100(157(10,11)12)47-55-117(143)118-56-48-101(80-144(118)196)158(13,14)15/h23-86,89-91H,87-88H2,1-22H3.
What are the key properties of 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?
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 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]-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 is sourced from PubChem (CID 162614863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).