2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile

C114H82N12 — CID 138729615

IUPAC2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6ccc(Cc7nc(C)nc(-c8cc(-n9c%10cc(-c%11ccccc%11C)ccc%10c%10ccc(-c%11ccccc%11C)cc%109)c(C#N)c(-n9c%10cc(-c%11ccccc%11C)ccc%10c%10ccc(-c%11ccccc%11C)cc%109)c8)n7)cc6c6ccc(-c7cccc(C)c7)cc65)c4C#N)c3c2)c1
InChIInChI=1S/C114H82N12/c1-66-22-20-28-76(50-66)78-37-43-91-90-34-18-19-35-100(90)123(102(91)54-78)108-60-84(113-119-72(7)117-73(8)120-113)61-109(98(108)64-115)124-101-49-36-75(52-97(101)96-44-38-79(55-103(96)124)77-29-21-23-67(2)51-77)53-112-118-74(9)121-114(122-112)85-62-110(125-104-56-80(86-30-14-10-24-68(86)3)39-45-92(104)93-46-40-81(57-105(93)125)87-31-15-11-25-69(87)4)99(65-116)111(63-85)126-106-58-82(88-32-16-12-26-70(88)5)41-47-94(106)95-48-42-83(59-107(95)126)89-33-17-13-27-71(89)6/h10-52,54-63H,53H2,1-9H3
InChIKeyCAKUJKDPVNAVAD-UHFFFAOYSA-N
MW1619.99 g/mol
LogP27.89
Rot. Bonds14

About 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile

2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 138729615) has the molecular formula C114H82N12 and a molecular weight of 1619.99 g/mol. Its IUPAC name is 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
PubChem CID138729615
Molecular FormulaC114H82N12
Molecular Weight1619.99 g/mol
Exact Mass1618.68
IUPAC Name2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6ccc(Cc7nc(C)nc(-c8cc(-n9c%10cc(-c%11ccccc%11C)ccc%10c%10ccc(-c%11ccccc%11C)cc%109)c(C#N)c(-n9c%10cc(-c%11ccccc%11C)ccc%10c%10ccc(-c%11ccccc%11C)cc%109)c8)n7)cc6c6ccc(-c7cccc(C)c7)cc65)c4C#N)c3c2)c1
InChIInChI=1S/C114H82N12/c1-66-22-20-28-76(50-66)78-37-43-91-90-34-18-19-35-100(90)123(102(91)54-78)108-60-84(113-119-72(7)117-73(8)120-113)61-109(98(108)64-115)124-101-49-36-75(52-97(101)96-44-38-79(55-103(96)124)77-29-21-23-67(2)51-77)53-112-118-74(9)121-114(122-112)85-62-110(125-104-56-80(86-30-14-10-24-68(86)3)39-45-92(104)93-46-40-81(57-105(93)125)87-31-15-11-25-69(87)4)99(65-116)111(63-85)126-106-58-82(88-32-16-12-26-70(88)5)41-47-94(106)95-48-42-83(59-107(95)126)89-33-17-13-27-71(89)6/h10-52,54-63H,53H2,1-9H3
InChIKeyCAKUJKDPVNAVAD-UHFFFAOYSA-N
XLogP27.89
TPSA144.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001619.99
LogP ≤ 527.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

4-(2,6-dimethylpyrimidin-4-yl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 139419917
2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 154966870
4-(4,6-dimethylpyrimidin-2-yl)-2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 155217685
2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377762
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
2,6-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155217683
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031
2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134293067
4-[9-[2-[4-[[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-cyanophenyl)carbazol-3-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 139438027
4-[4-cyano-3-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138736274
2,6-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile;2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,6-bis[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 158829725
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134292730

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile (CID 138729615) is 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile is Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6ccc(Cc7nc(C)nc(-c8cc(-n9c%10cc(-c%11ccccc%11C)ccc%10c%10ccc(-c%11ccccc%11C)cc%109)c(C#N)c(-n9c%10cc(-c%11ccccc%11C)ccc%10c%10ccc(-c%11ccccc%11C)cc%109)c8)n7)cc6c6ccc(-c7cccc(C)c7)cc65)c4C#N)c3c2)c1.
What is the InChIKey of 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is CAKUJKDPVNAVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H82N12/c1-66-22-20-28-76(50-66)78-37-43-91-90-34-18-19-35-100(90)123(102(91)54-78)108-60-84(113-119-72(7)117-73(8)120-113)61-109(98(108)64-115)124-101-49-36-75(52-97(101)96-44-38-79(55-103(96)124)77-29-21-23-67(2)51-77)53-112-118-74(9)121-114(122-112)85-62-110(125-104-56-80(86-30-14-10-24-68(86)3)39-45-92(104)93-46-40-81(57-105(93)125)87-31-15-11-25-69(87)4)99(65-116)111(63-85)126-106-58-82(88-32-16-12-26-70(88)5)41-47-94(106)95-48-42-83(59-107(95)126)89-33-17-13-27-71(89)6/h10-52,54-63H,53H2,1-9H3.
What are the key properties of 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile?
2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 1619.99 g/mol, XLogP of 27.89, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-[3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-cyanophenyl]-6-methyl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 138729615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).