5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile

C120H90N8 — CID 137389013

IUPAC5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4cc(Cc5ccc(-c6ccc7c8ccccc8n(-c8cc(-c9cccnc9)c(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)cc%11C)cc%109)cc8C#N)c7c6)c(C)c5)c(C)cc4C)ccc2n3-c2cc(-c3cccnc3)c(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)cc2C#N)c(C)c1
InChIInChI=1S/C120H90N8/c1-70-24-35-93(75(6)48-70)82-31-42-111-105(55-82)108-58-85(34-45-112(108)125(111)115-64-103(88-18-16-46-123-68-88)119(62-91(115)66-121)126-113-43-32-83(94-36-25-71(2)49-76(94)7)56-106(113)107-57-84(33-44-114(107)126)95-37-26-72(3)50-77(95)8)102-59-90(74(5)52-79(102)10)54-81-28-39-97(80(11)53-81)87-30-40-100-98-20-12-14-22-109(98)127(117(100)60-87)116-65-104(89-19-17-47-124-69-89)120(63-92(116)67-122)128-110-23-15-13-21-99(110)101-41-29-86(61-118(101)128)96-38-27-73(4)51-78(96)9/h12-53,55-65,68-69H,54H2,1-11H3
InChIKeyWOSYLNHWIUWTOE-UHFFFAOYSA-N
MW1644.10 g/mol
LogP30.93
Rot. Bonds14

About 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile

5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile (PubChem CID 137389013) has the molecular formula C120H90N8 and a molecular weight of 1644.10 g/mol. Its IUPAC name is 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile
PubChem CID137389013
Molecular FormulaC120H90N8
Molecular Weight1644.10 g/mol
Exact Mass1642.73
IUPAC Name5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4cc(Cc5ccc(-c6ccc7c8ccccc8n(-c8cc(-c9cccnc9)c(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)cc%11C)cc%109)cc8C#N)c7c6)c(C)c5)c(C)cc4C)ccc2n3-c2cc(-c3cccnc3)c(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)cc2C#N)c(C)c1
InChIInChI=1S/C120H90N8/c1-70-24-35-93(75(6)48-70)82-31-42-111-105(55-82)108-58-85(34-45-112(108)125(111)115-64-103(88-18-16-46-123-68-88)119(62-91(115)66-121)126-113-43-32-83(94-36-25-71(2)49-76(94)7)56-106(113)107-57-84(33-44-114(107)126)95-37-26-72(3)50-77(95)8)102-59-90(74(5)52-79(102)10)54-81-28-39-97(80(11)53-81)87-30-40-100-98-20-12-14-22-109(98)127(117(100)60-87)116-65-104(89-19-17-47-124-69-89)120(63-92(116)67-122)128-110-23-15-13-21-99(110)101-41-29-86(61-118(101)128)96-38-27-73(4)51-78(96)9/h12-53,55-65,68-69H,54H2,1-11H3
InChIKeyWOSYLNHWIUWTOE-UHFFFAOYSA-N
XLogP30.93
TPSA93.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001644.10
LogP ≤ 530.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile?
The IUPAC name of 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile (CID 137389013) is 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile.
What is the SMILES notation for 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile?
The canonical SMILES for 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile is Cc1ccc(-c2ccc3c(c2)c2cc(-c4cc(Cc5ccc(-c6ccc7c8ccccc8n(-c8cc(-c9cccnc9)c(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)cc%11C)cc%109)cc8C#N)c7c6)c(C)c5)c(C)cc4C)ccc2n3-c2cc(-c3cccnc3)c(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)cc2C#N)c(C)c1.
What is the InChIKey of 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile?
The InChIKey is WOSYLNHWIUWTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H90N8/c1-70-24-35-93(75(6)48-70)82-31-42-111-105(55-82)108-58-85(34-45-112(108)125(111)115-64-103(88-18-16-46-123-68-88)119(62-91(115)66-121)126-113-43-32-83(94-36-25-71(2)49-76(94)7)56-106(113)107-57-84(33-44-114(107)126)95-37-26-72(3)50-77(95)8)102-59-90(74(5)52-79(102)10)54-81-28-39-97(80(11)53-81)87-30-40-100-98-20-12-14-22-109(98)127(117(100)60-87)116-65-104(89-19-17-47-124-69-89)120(63-92(116)67-122)128-110-23-15-13-21-99(110)101-41-29-86(61-118(101)128)96-38-27-73(4)51-78(96)9/h12-53,55-65,68-69H,54H2,1-11H3.
What are the key properties of 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile?
5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile has a molecular weight of 1644.10 g/mol, XLogP of 30.93, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-[3-[5-[[4-[9-[2-cyano-4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-5-pyridin-3-ylphenyl]carbazol-2-yl]-3-methylphenyl]methyl]-2,4-dimethylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-3-ylbenzonitrile is sourced from PubChem (CID 137389013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).