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

C167H107F9N12 — CID 146393837

IUPAC3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccc6c7ccccc7n(-c7cnc(-n8c9ccccc9c9ccc(-c%10ccc(C)c(-c%11ccc(-c%12ccc%13c(c%12)c%12cc(-c%14cccc(C)c%14)ccc%12n%13-c%12cnc(-n%13c%14ccc(-c%15cccc(C)c%15)cc%14c%14cc(-c%15cccc(C)c%15)ccc%14%13)cc%12-c%12cc(C#N)cc(C(F)(F)F)c%12)cc%11C)c%10)cc98)cc7-c7cc(C#N)cc(C(F)(F)F)c7)c6c5)ccc4C)ccc2n3-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)cn2)cc1
InChIInChI=1S/C167H107F9N12/c1-95-30-36-106(37-31-95)112-45-55-150-140(77-112)132-26-11-13-28-148(132)183(150)159-92-180-163(86-137(159)123-66-103(89-177)69-126(72-123)165(168,169)170)187-153-58-46-113(107-38-32-96(2)33-39-107)78-143(153)146-83-122(51-61-156(146)187)135-75-114(40-34-100(135)6)120-43-53-133-130-24-9-12-27-147(130)185(157(133)84-120)161-94-182-164(88-139(161)125-68-105(91-179)71-128(74-125)167(174,175)176)188-149-29-14-10-25-131(149)134-54-44-121(85-158(134)188)115-41-35-101(7)136(76-115)129-52-42-111(65-102(129)8)119-48-57-152-142(82-119)141-79-116(108-21-15-18-97(3)62-108)47-56-151(141)184(152)160-93-181-162(87-138(160)124-67-104(90-178)70-127(73-124)166(171,172)173)186-154-59-49-117(109-22-16-19-98(4)63-109)80-144(154)145-81-118(50-60-155(145)186)110-23-17-20-99(5)64-110/h9-88,92-94H,1-8H3
InChIKeyLHIPPKUMWDMQIV-UHFFFAOYSA-N
MW2452.76 g/mol
LogP45.26
Rot. Bonds19

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

3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile (PubChem CID 146393837) has the molecular formula C167H107F9N12 and a molecular weight of 2452.76 g/mol. Its IUPAC name is 3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
PubChem CID146393837
Molecular FormulaC167H107F9N12
Molecular Weight2452.76 g/mol
Exact Mass2450.86
IUPAC Name3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccc6c7ccccc7n(-c7cnc(-n8c9ccccc9c9ccc(-c%10ccc(C)c(-c%11ccc(-c%12ccc%13c(c%12)c%12cc(-c%14cccc(C)c%14)ccc%12n%13-c%12cnc(-n%13c%14ccc(-c%15cccc(C)c%15)cc%14c%14cc(-c%15cccc(C)c%15)ccc%14%13)cc%12-c%12cc(C#N)cc(C(F)(F)F)c%12)cc%11C)c%10)cc98)cc7-c7cc(C#N)cc(C(F)(F)F)c7)c6c5)ccc4C)ccc2n3-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)cn2)cc1
InChIInChI=1S/C167H107F9N12/c1-95-30-36-106(37-31-95)112-45-55-150-140(77-112)132-26-11-13-28-148(132)183(150)159-92-180-163(86-137(159)123-66-103(89-177)69-126(72-123)165(168,169)170)187-153-58-46-113(107-38-32-96(2)33-39-107)78-143(153)146-83-122(51-61-156(146)187)135-75-114(40-34-100(135)6)120-43-53-133-130-24-9-12-27-147(130)185(157(133)84-120)161-94-182-164(88-139(161)125-68-105(91-179)71-128(74-125)167(174,175)176)188-149-29-14-10-25-131(149)134-54-44-121(85-158(134)188)115-41-35-101(7)136(76-115)129-52-42-111(65-102(129)8)119-48-57-152-142(82-119)141-79-116(108-21-15-18-97(3)62-108)47-56-151(141)184(152)160-93-181-162(87-138(160)124-67-104(90-178)70-127(73-124)166(171,172)173)186-154-59-49-117(109-22-16-19-98(4)63-109)80-144(154)145-81-118(50-60-155(145)186)110-23-17-20-99(5)64-110/h9-88,92-94H,1-8H3
InChIKeyLHIPPKUMWDMQIV-UHFFFAOYSA-N
XLogP45.26
TPSA139.62 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002452.76
LogP ≤ 545.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile (CID 146393837) is 3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile is Cc1ccc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccc6c7ccccc7n(-c7cnc(-n8c9ccccc9c9ccc(-c%10ccc(C)c(-c%11ccc(-c%12ccc%13c(c%12)c%12cc(-c%14cccc(C)c%14)ccc%12n%13-c%12cnc(-n%13c%14ccc(-c%15cccc(C)c%15)cc%14c%14cc(-c%15cccc(C)c%15)ccc%14%13)cc%12-c%12cc(C#N)cc(C(F)(F)F)c%12)cc%11C)c%10)cc98)cc7-c7cc(C#N)cc(C(F)(F)F)c7)c6c5)ccc4C)ccc2n3-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)cn2)cc1.
What is the InChIKey of 3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
The InChIKey is LHIPPKUMWDMQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C167H107F9N12/c1-95-30-36-106(37-31-95)112-45-55-150-140(77-112)132-26-11-13-28-148(132)183(150)159-92-180-163(86-137(159)123-66-103(89-177)69-126(72-123)165(168,169)170)187-153-58-46-113(107-38-32-96(2)33-39-107)78-143(153)146-83-122(51-61-156(146)187)135-75-114(40-34-100(135)6)120-43-53-133-130-24-9-12-27-147(130)185(157(133)84-120)161-94-182-164(88-139(161)125-68-105(91-179)71-128(74-125)167(174,175)176)188-149-29-14-10-25-131(149)134-54-44-121(85-158(134)188)115-41-35-101(7)136(76-115)129-52-42-111(65-102(129)8)119-48-57-152-142(82-119)141-79-116(108-21-15-18-97(3)62-108)47-56-151(141)184(152)160-93-181-162(87-138(160)124-67-104(90-178)70-127(73-124)166(171,172)173)186-154-59-49-117(109-22-16-19-98(4)63-109)80-144(154)145-81-118(50-60-155(145)186)110-23-17-20-99(5)64-110/h9-88,92-94H,1-8H3.
What are the key properties of 3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile has a molecular weight of 2452.76 g/mol, XLogP of 45.26, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[3-[4-[5-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[2-[3-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 146393837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).