2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile

C138H96N10 — CID 138515637

IUPAC2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(C#N)c6-c6cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6-n6c7ccccc7c7cc(-c8ccc(C)cc8C)ccc76)c(C)cc5C)c4)n3)cc2-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1
InChIInChI=1S/C138H96N10/c1-83-49-56-106(88(6)65-83)97-52-59-128-115(74-97)109-41-19-23-44-124(109)146(128)132-61-54-99(121-79-119(91-29-12-9-13-30-91)141-137(143-121)93-33-16-11-17-34-93)76-117(132)136-103(82-140)38-28-48-134(136)148-126-46-25-21-42-110(126)116-75-98(53-60-130(116)148)112-78-111(89(7)70-90(112)8)96-35-26-36-101(71-96)138-142-120(92-31-14-10-15-32-92)80-122(144-138)100-55-62-131(145-123-43-22-18-39-107(123)113-72-94(50-57-127(113)145)104-66-84(2)63-85(3)67-104)118(77-100)135-102(81-139)37-27-47-133(135)147-125-45-24-20-40-108(125)114-73-95(51-58-129(114)147)105-68-86(4)64-87(5)69-105/h9-80H,1-8H3
InChIKeyFPGRZWLIEXZTLA-UHFFFAOYSA-N
MW1894.36 g/mol
LogP35.54
Rot. Bonds17

About 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile

2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 138515637) has the molecular formula C138H96N10 and a molecular weight of 1894.36 g/mol. Its IUPAC name is 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
PubChem CID138515637
Molecular FormulaC138H96N10
Molecular Weight1894.36 g/mol
Exact Mass1892.78
IUPAC Name2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(C#N)c6-c6cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6-n6c7ccccc7c7cc(-c8ccc(C)cc8C)ccc76)c(C)cc5C)c4)n3)cc2-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1
InChIInChI=1S/C138H96N10/c1-83-49-56-106(88(6)65-83)97-52-59-128-115(74-97)109-41-19-23-44-124(109)146(128)132-61-54-99(121-79-119(91-29-12-9-13-30-91)141-137(143-121)93-33-16-11-17-34-93)76-117(132)136-103(82-140)38-28-48-134(136)148-126-46-25-21-42-110(126)116-75-98(53-60-130(116)148)112-78-111(89(7)70-90(112)8)96-35-26-36-101(71-96)138-142-120(92-31-14-10-15-32-92)80-122(144-138)100-55-62-131(145-123-43-22-18-39-107(123)113-72-94(50-57-127(113)145)104-66-84(2)63-85(3)67-104)118(77-100)135-102(81-139)37-27-47-133(135)147-125-45-24-20-40-108(125)114-73-95(51-58-129(114)147)105-68-86(4)64-87(5)69-105/h9-80H,1-8H3
InChIKeyFPGRZWLIEXZTLA-UHFFFAOYSA-N
XLogP35.54
TPSA118.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001894.36
LogP ≤ 535.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

9-[2-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 158928148
3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-(3,5-dimethylphenyl)-9-[2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 160975323
2-[3-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496163
9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155462522
9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole;3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;3-(2,4-dimethylphenyl)-9-[3-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 158774170
9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(3,5-dimethylphenyl)carbazole
CID 155761359
9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155463382
3-(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 137414549
3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole
CID 142597636
3-(3,5-dimethylphenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421384
4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155003275
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole
CID 137421078

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile (CID 138515637) is 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile is Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(C#N)c6-c6cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6-n6c7ccccc7c7cc(-c8ccc(C)cc8C)ccc76)c(C)cc5C)c4)n3)cc2-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1.
What is the InChIKey of 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is FPGRZWLIEXZTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H96N10/c1-83-49-56-106(88(6)65-83)97-52-59-128-115(74-97)109-41-19-23-44-124(109)146(128)132-61-54-99(121-79-119(91-29-12-9-13-30-91)141-137(143-121)93-33-16-11-17-34-93)76-117(132)136-103(82-140)38-28-48-134(136)148-126-46-25-21-42-110(126)116-75-98(53-60-130(116)148)112-78-111(89(7)70-90(112)8)96-35-26-36-101(71-96)138-142-120(92-31-14-10-15-32-92)80-122(144-138)100-55-62-131(145-123-43-22-18-39-107(123)113-72-94(50-57-127(113)145)104-66-84(2)63-85(3)67-104)118(77-100)135-102(81-139)37-27-47-133(135)147-125-45-24-20-40-108(125)114-73-95(51-58-129(114)147)105-68-86(4)64-87(5)69-105/h9-80H,1-8H3.
What are the key properties of 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile?
2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 1894.36 g/mol, XLogP of 35.54, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[3-[5-[9-[3-cyano-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-2,4-dimethylphenyl]phenyl]-6-phenylpyrimidin-4-yl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-3-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 138515637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).