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

C173H107F18N9 — CID 134287599

IUPAC2-[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
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9cc(C(F)(F)F)cc(C(F)(F)F)c9)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%14cc(C(F)(F)F)cc(C(F)(F)F)c%14)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/C173H107F18N9/c1-95-30-36-103(37-31-95)109-45-55-153-140(74-109)135-26-11-14-29-152(135)195(153)162-83-123(120-66-126(168(174,175)176)89-127(67-120)169(177,178)179)84-163(147(162)92-192)198-154-56-46-110(104-38-32-96(2)33-39-104)75-141(154)146-80-119(51-61-159(146)198)138-72-111(40-34-100(138)6)117-43-53-136-133-24-9-12-27-150(133)199(160(136)81-117)166-87-125(122-70-130(172(186,187)188)91-131(71-122)173(189,190)191)88-167(149(166)94-194)200-151-28-13-10-25-134(151)137-54-44-118(82-161(137)200)112-41-35-101(7)139(73-112)132-52-42-108(65-102(132)8)116-50-60-158-145(79-116)144-78-115(107-23-17-20-99(5)64-107)49-59-157(144)197(158)165-86-124(121-68-128(170(180,181)182)90-129(69-121)171(183,184)185)85-164(148(165)93-193)196-155-57-47-113(105-21-15-18-97(3)62-105)76-142(155)143-77-114(48-58-156(143)196)106-22-16-19-98(4)63-106/h9-91H,1-8H3
InChIKeyFJNHUAOMROXELM-UHFFFAOYSA-N
MW2653.79 g/mol
LogP50.14
Rot. Bonds19

About 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

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 (PubChem CID 134287599) has the molecular formula C173H107F18N9 and a molecular weight of 2653.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID134287599
Molecular FormulaC173H107F18N9
Molecular Weight2653.79 g/mol
Exact Mass2651.84
IUPAC Name2-[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
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9cc(C(F)(F)F)cc(C(F)(F)F)c9)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%14cc(C(F)(F)F)cc(C(F)(F)F)c%14)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/C173H107F18N9/c1-95-30-36-103(37-31-95)109-45-55-153-140(74-109)135-26-11-14-29-152(135)195(153)162-83-123(120-66-126(168(174,175)176)89-127(67-120)169(177,178)179)84-163(147(162)92-192)198-154-56-46-110(104-38-32-96(2)33-39-104)75-141(154)146-80-119(51-61-159(146)198)138-72-111(40-34-100(138)6)117-43-53-136-133-24-9-12-27-150(133)199(160(136)81-117)166-87-125(122-70-130(172(186,187)188)91-131(71-122)173(189,190)191)88-167(149(166)94-194)200-151-28-13-10-25-134(151)137-54-44-118(82-161(137)200)112-41-35-101(7)139(73-112)132-52-42-108(65-102(132)8)116-50-60-158-145(79-116)144-78-115(107-23-17-20-99(5)64-107)49-59-157(144)197(158)165-86-124(121-68-128(170(180,181)182)90-129(69-121)171(183,184)185)85-164(148(165)93-193)196-155-57-47-113(105-21-15-18-97(3)62-105)76-142(155)143-77-114(48-58-156(143)196)106-22-16-19-98(4)63-106/h9-91H,1-8H3
InChIKeyFJNHUAOMROXELM-UHFFFAOYSA-N
XLogP50.14
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002653.79
LogP ≤ 550.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 134300631
2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295734
2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295725
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
2,6-bis[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4-cyano-2-methylphenyl)benzonitrile;2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4-cyano-2-methylphenyl)-6-[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]-6-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159509913
4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 138498906
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300612
3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 159918160
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[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501960
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9cc(C(F)(F)F)cc(C(F)(F)F)c9)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%14cc(C(F)(F)F)cc(C(F)(F)F)c%14)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]-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?
The InChIKey is FJNHUAOMROXELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C173H107F18N9/c1-95-30-36-103(37-31-95)109-45-55-153-140(74-109)135-26-11-14-29-152(135)195(153)162-83-123(120-66-126(168(174,175)176)89-127(67-120)169(177,178)179)84-163(147(162)92-192)198-154-56-46-110(104-38-32-96(2)33-39-104)75-141(154)146-80-119(51-61-159(146)198)138-72-111(40-34-100(138)6)117-43-53-136-133-24-9-12-27-150(133)199(160(136)81-117)166-87-125(122-70-130(172(186,187)188)91-131(71-122)173(189,190)191)88-167(149(166)94-194)200-151-28-13-10-25-134(151)137-54-44-118(82-161(137)200)112-41-35-101(7)139(73-112)132-52-42-108(65-102(132)8)116-50-60-158-145(79-116)144-78-115(107-23-17-20-99(5)64-107)49-59-157(144)197(158)165-86-124(121-68-128(170(180,181)182)90-129(69-121)171(183,184)185)85-164(148(165)93-193)196-155-57-47-113(105-21-15-18-97(3)62-105)76-142(155)143-77-114(48-58-156(143)196)106-22-16-19-98(4)63-106/h9-91H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 2653.79 g/mol, XLogP of 50.14, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134287599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).