3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C136H106N8 — CID 146546423

IUPAC3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cncc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(CCc6ccc(-c7ccc8c9ccc(-c%10ccc(C)cc%10C)cc9n(-c9cncc(-n%10c%11cc(-c%12ccc(C)cc%12C)ccc%11c%11ccc(-c%12ccc(C)cc%12C)cc%11%10)c9-c9cccc(C#N)c9)c8c7)c(C)c6)cc5C)ccc43)c2-c2cccc(C#N)c2)c(C)c1
InChIInChI=1S/C136H106N8/c1-79-21-39-107(85(7)55-79)97-35-51-123-119(65-97)120-66-98(108-40-22-80(2)56-86(108)8)36-52-124(120)141(123)131-75-139-76-132(135(131)105-19-15-17-95(63-105)73-137)142-125-53-37-99(109-41-23-81(3)57-87(109)9)67-121(125)122-68-100(38-54-126(122)142)113-45-29-93(61-91(113)13)27-28-94-30-46-114(92(14)62-94)104-34-50-118-117-49-33-103(112-44-26-84(6)60-90(112)12)71-129(117)144(130(118)72-104)134-78-140-77-133(136(134)106-20-16-18-96(64-106)74-138)143-127-69-101(110-42-24-82(4)58-88(110)10)31-47-115(127)116-48-32-102(70-128(116)143)111-43-25-83(5)59-89(111)11/h15-26,29-72,75-78H,27-28H2,1-14H3
InChIKeyKBHOUNNRXZTHBU-UHFFFAOYSA-N
MW1852.40 g/mol
LogP35.38
Rot. Bonds17

About 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146546423) has the molecular formula C136H106N8 and a molecular weight of 1852.40 g/mol. Its IUPAC name is 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146546423
Molecular FormulaC136H106N8
Molecular Weight1852.40 g/mol
Exact Mass1850.85
IUPAC Name3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cncc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(CCc6ccc(-c7ccc8c9ccc(-c%10ccc(C)cc%10C)cc9n(-c9cncc(-n%10c%11cc(-c%12ccc(C)cc%12C)ccc%11c%11ccc(-c%12ccc(C)cc%12C)cc%11%10)c9-c9cccc(C#N)c9)c8c7)c(C)c6)cc5C)ccc43)c2-c2cccc(C#N)c2)c(C)c1
InChIInChI=1S/C136H106N8/c1-79-21-39-107(85(7)55-79)97-35-51-123-119(65-97)120-66-98(108-40-22-80(2)56-86(108)8)36-52-124(120)141(123)131-75-139-76-132(135(131)105-19-15-17-95(63-105)73-137)142-125-53-37-99(109-41-23-81(3)57-87(109)9)67-121(125)122-68-100(38-54-126(122)142)113-45-29-93(61-91(113)13)27-28-94-30-46-114(92(14)62-94)104-34-50-118-117-49-33-103(112-44-26-84(6)60-90(112)12)71-129(117)144(130(118)72-104)134-78-140-77-133(136(134)106-20-16-18-96(64-106)74-138)143-127-69-101(110-42-24-82(4)58-88(110)10)31-47-115(127)116-48-32-102(70-128(116)143)111-43-25-83(5)59-89(111)11/h15-26,29-72,75-78H,27-28H2,1-14H3
InChIKeyKBHOUNNRXZTHBU-UHFFFAOYSA-N
XLogP35.38
TPSA93.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001852.40
LogP ≤ 535.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile with MolForge

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Related Compounds

4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 160846267
3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543848
2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543797
3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155378016
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
3-[4,5-bis(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]benzonitrile
CID 158960856
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391
3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159122987
3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544351
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 161454396
3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508053
3-[3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 161042465

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146546423) is 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cncc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(CCc6ccc(-c7ccc8c9ccc(-c%10ccc(C)cc%10C)cc9n(-c9cncc(-n%10c%11cc(-c%12ccc(C)cc%12C)ccc%11c%11ccc(-c%12ccc(C)cc%12C)cc%11%10)c9-c9cccc(C#N)c9)c8c7)c(C)c6)cc5C)ccc43)c2-c2cccc(C#N)c2)c(C)c1.
What is the InChIKey of 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is KBHOUNNRXZTHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H106N8/c1-79-21-39-107(85(7)55-79)97-35-51-123-119(65-97)120-66-98(108-40-22-80(2)56-86(108)8)36-52-124(120)141(123)131-75-139-76-132(135(131)105-19-15-17-95(63-105)73-137)142-125-53-37-99(109-41-23-81(3)57-87(109)9)67-121(125)122-68-100(38-54-126(122)142)113-45-29-93(61-91(113)13)27-28-94-30-46-114(92(14)62-94)104-34-50-118-117-49-33-103(112-44-26-84(6)60-90(112)12)71-129(117)144(130(118)72-104)134-78-140-77-133(136(134)106-20-16-18-96(64-106)74-138)143-127-69-101(110-42-24-82(4)58-88(110)10)31-47-115(127)116-48-32-102(70-128(116)143)111-43-25-83(5)59-89(111)11/h15-26,29-72,75-78H,27-28H2,1-14H3.
What are the key properties of 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 1852.40 g/mol, XLogP of 35.38, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146546423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).