2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile

C144H78F12N16 — CID 137383621

IUPAC2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccnc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)c5cc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)ccc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5cc(-n6c7ccccc7c7cc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)ccc76)ccn5)c4)n3)ccc2-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1
InChIInChI=1S/C144H78F12N16/c145-141(146,147)103-62-101(63-104(75-103)142(148,149)150)88-40-48-126-114(67-88)113-37-18-19-38-125(113)169(126)107-57-59-161-123(77-107)121-73-95(139-165-135(83-21-4-1-5-22-83)163-136(166-139)84-23-6-2-7-24-84)46-55-133(121)171-129-49-39-87(66-115(129)116-68-89(41-50-130(116)171)102-64-105(143(151,152)153)76-106(65-102)144(154,155)156)86-31-20-32-94(61-86)138-164-137(85-25-8-3-9-26-85)167-140(168-138)96-47-56-134(172-131-53-44-92(111-35-16-12-29-99(111)81-159)71-119(131)120-72-93(45-54-132(120)172)112-36-17-13-30-100(112)82-160)122(74-96)124-78-108(58-60-162-124)170-127-51-42-90(109-33-14-10-27-97(109)79-157)69-117(127)118-70-91(43-52-128(118)170)110-34-15-11-28-98(110)80-158/h1-78H
InChIKeyMOACCCRWLGGOEH-UHFFFAOYSA-N
MW2260.30 g/mol
LogP37.80
Rot. Bonds19

About 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile

2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile (PubChem CID 137383621) has the molecular formula C144H78F12N16 and a molecular weight of 2260.30 g/mol. Its IUPAC name is 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
PubChem CID137383621
Molecular FormulaC144H78F12N16
Molecular Weight2260.30 g/mol
Exact Mass2258.64
IUPAC Name2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccnc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)c5cc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)ccc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5cc(-n6c7ccccc7c7cc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)ccc76)ccn5)c4)n3)ccc2-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1
InChIInChI=1S/C144H78F12N16/c145-141(146,147)103-62-101(63-104(75-103)142(148,149)150)88-40-48-126-114(67-88)113-37-18-19-38-125(113)169(126)107-57-59-161-123(77-107)121-73-95(139-165-135(83-21-4-1-5-22-83)163-136(166-139)84-23-6-2-7-24-84)46-55-133(121)171-129-49-39-87(66-115(129)116-68-89(41-50-130(116)171)102-64-105(143(151,152)153)76-106(65-102)144(154,155)156)86-31-20-32-94(61-86)138-164-137(85-25-8-3-9-26-85)167-140(168-138)96-47-56-134(172-131-53-44-92(111-35-16-12-29-99(111)81-159)71-119(131)120-72-93(45-54-132(120)172)112-36-17-13-30-100(112)82-160)122(74-96)124-78-108(58-60-162-124)170-127-51-42-90(109-33-14-10-27-97(109)79-157)69-117(127)118-70-91(43-52-128(118)170)110-34-15-11-28-98(110)80-158/h1-78H
InChIKeyMOACCCRWLGGOEH-UHFFFAOYSA-N
XLogP37.80
TPSA218.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002260.30
LogP ≤ 537.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile with MolForge

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Related Compounds

2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138498977
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498978
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 138554541
2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174170989
9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158207837
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139495723
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 146409485
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole
CID 156679474
3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 155233083
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155462942
5-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 162611751
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499069

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
The IUPAC name of 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile (CID 137383621) is 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile.
What is the SMILES notation for 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
The canonical SMILES for 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccnc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)c5cc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)ccc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5cc(-n6c7ccccc7c7cc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)ccc76)ccn5)c4)n3)ccc2-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1.
What is the InChIKey of 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
The InChIKey is MOACCCRWLGGOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H78F12N16/c145-141(146,147)103-62-101(63-104(75-103)142(148,149)150)88-40-48-126-114(67-88)113-37-18-19-38-125(113)169(126)107-57-59-161-123(77-107)121-73-95(139-165-135(83-21-4-1-5-22-83)163-136(166-139)84-23-6-2-7-24-84)46-55-133(121)171-129-49-39-87(66-115(129)116-68-89(41-50-130(116)171)102-64-105(143(151,152)153)76-106(65-102)144(154,155)156)86-31-20-32-94(61-86)138-164-137(85-25-8-3-9-26-85)167-140(168-138)96-47-56-134(172-131-53-44-92(111-35-16-12-29-99(111)81-159)71-119(131)120-72-93(45-54-132(120)172)112-36-17-13-30-100(112)82-160)122(74-96)124-78-108(58-60-162-124)170-127-51-42-90(109-33-14-10-27-97(109)79-157)69-117(127)118-70-91(43-52-128(118)170)110-34-15-11-28-98(110)80-158/h1-78H.
What are the key properties of 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile has a molecular weight of 2260.30 g/mol, XLogP of 37.80, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile is sourced from PubChem (CID 137383621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).