2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile

C173H107F9N12 — CID 162609129

IUPAC2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C#N)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9ccc(C(F)(F)F)cc9C#N)cc(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)c(-c%12ccc(-c%13ccc%14c(c%13)c%13cc(-c%15cccc(C)c%15)ccc%13n%14-c%13cc(-c%14ccc(C(F)(F)F)cc%14C#N)cc(-n%14c%15ccc(-c%16cccc(C)c%16)cc%15c%15cc(-c%16cccc(C)c%16)ccc%15%14)c%13C#N)cc%12C)c%11)cc%109)c8C#N)c7c6)ccc5C)ccc43)c2C#N)cc1
InChIInChI=1S/C173H107F9N12/c1-98-30-36-106(37-31-98)112-45-61-156-143(77-112)138-26-11-14-29-155(138)189(156)165-86-123(133-58-52-129(171(174,175)176)72-126(133)92-183)87-166(150(165)95-186)192-157-62-46-113(107-38-32-99(2)33-39-107)78-144(157)149-83-122(51-67-162(149)192)141-75-114(40-34-103(141)6)120-43-56-139-136-24-9-12-27-153(136)193(163(139)84-120)169-90-125(135-60-54-131(173(180,181)182)74-128(135)94-185)91-170(152(169)97-188)194-154-28-13-10-25-137(154)140-57-44-121(85-164(140)194)115-41-35-104(7)142(76-115)132-55-42-111(71-105(132)8)119-50-66-161-148(82-119)147-81-118(110-23-17-20-102(5)70-110)49-65-160(147)191(161)168-89-124(134-59-53-130(172(177,178)179)73-127(134)93-184)88-167(151(168)96-187)190-158-63-47-116(108-21-15-18-100(3)68-108)79-145(158)146-80-117(48-64-159(146)190)109-22-16-19-101(4)69-109/h9-91H,1-8H3
InChIKeyBWWCBNIUTGFNFG-UHFFFAOYSA-N
MW2524.82 g/mol
LogP46.69
Rot. Bonds19

About 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile

2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 162609129) has the molecular formula C173H107F9N12 and a molecular weight of 2524.82 g/mol. Its IUPAC name is 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
PubChem CID162609129
Molecular FormulaC173H107F9N12
Molecular Weight2524.82 g/mol
Exact Mass2522.86
IUPAC Name2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C#N)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9ccc(C(F)(F)F)cc9C#N)cc(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)c(-c%12ccc(-c%13ccc%14c(c%13)c%13cc(-c%15cccc(C)c%15)ccc%13n%14-c%13cc(-c%14ccc(C(F)(F)F)cc%14C#N)cc(-n%14c%15ccc(-c%16cccc(C)c%16)cc%15c%15cc(-c%16cccc(C)c%16)ccc%15%14)c%13C#N)cc%12C)c%11)cc%109)c8C#N)c7c6)ccc5C)ccc43)c2C#N)cc1
InChIInChI=1S/C173H107F9N12/c1-98-30-36-106(37-31-98)112-45-61-156-143(77-112)138-26-11-14-29-155(138)189(156)165-86-123(133-58-52-129(171(174,175)176)72-126(133)92-183)87-166(150(165)95-186)192-157-62-46-113(107-38-32-99(2)33-39-107)78-144(157)149-83-122(51-67-162(149)192)141-75-114(40-34-103(141)6)120-43-56-139-136-24-9-12-27-153(136)193(163(139)84-120)169-90-125(135-60-54-131(173(180,181)182)74-128(135)94-185)91-170(152(169)97-188)194-154-28-13-10-25-137(154)140-57-44-121(85-164(140)194)115-41-35-104(7)142(76-115)132-55-42-111(71-105(132)8)119-50-66-161-148(82-119)147-81-118(110-23-17-20-102(5)70-110)49-65-160(147)191(161)168-89-124(134-59-53-130(172(177,178)179)73-127(134)93-184)88-167(151(168)96-187)190-158-63-47-116(108-21-15-18-100(3)68-108)79-145(158)146-80-117(48-64-159(146)190)109-22-16-19-101(4)69-109/h9-91H,1-8H3
InChIKeyBWWCBNIUTGFNFG-UHFFFAOYSA-N
XLogP46.69
TPSA172.32 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002524.82
LogP ≤ 546.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Related Compounds

2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[4-[5-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[3-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-cyanophenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 134287599
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile;4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 158283919
4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162609134
2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 160556570
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021
4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile
CID 161252301
4-[2-cyano-4-(trifluoromethyl)phenyl]-3,5-bis[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 147689508
2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386835
4-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 137382215
2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 162609135
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 161454396
2,6-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 147670061

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile (CID 162609129) is 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C#N)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9ccc(C(F)(F)F)cc9C#N)cc(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)c(-c%12ccc(-c%13ccc%14c(c%13)c%13cc(-c%15cccc(C)c%15)ccc%13n%14-c%13cc(-c%14ccc(C(F)(F)F)cc%14C#N)cc(-n%14c%15ccc(-c%16cccc(C)c%16)cc%15c%15cc(-c%16cccc(C)c%16)ccc%15%14)c%13C#N)cc%12C)c%11)cc%109)c8C#N)c7c6)ccc5C)ccc43)c2C#N)cc1.
What is the InChIKey of 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is BWWCBNIUTGFNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C173H107F9N12/c1-98-30-36-106(37-31-98)112-45-61-156-143(77-112)138-26-11-14-29-155(138)189(156)165-86-123(133-58-52-129(171(174,175)176)72-126(133)92-183)87-166(150(165)95-186)192-157-62-46-113(107-38-32-99(2)33-39-107)78-144(157)149-83-122(51-67-162(149)192)141-75-114(40-34-103(141)6)120-43-56-139-136-24-9-12-27-153(136)193(163(139)84-120)169-90-125(135-60-54-131(173(180,181)182)74-128(135)94-185)91-170(152(169)97-188)194-154-28-13-10-25-137(154)140-57-44-121(85-164(140)194)115-41-35-104(7)142(76-115)132-55-42-111(71-105(132)8)119-50-66-161-148(82-119)147-81-118(110-23-17-20-102(5)70-110)49-65-160(147)191(161)168-89-124(134-59-53-130(172(177,178)179)73-127(134)93-184)88-167(151(168)96-187)190-158-63-47-116(108-21-15-18-100(3)68-108)79-145(158)146-80-117(48-64-159(146)190)109-22-16-19-101(4)69-109/h9-91H,1-8H3.
What are the key properties of 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile?
2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 2524.82 g/mol, XLogP of 46.69, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 162609129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).