2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile

C222H144N18 — CID 162156345

IUPAC2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(C)C.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccc4c(c32)C(C)(C)c2ccccc2-4)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccc3c(c21)C(C)(C)c1ccccc1-3
InChIInChI=1S/3C74H48N6/c1-73(2)54-30-14-6-28-51(54)64-56(73)40-38-49-47-26-12-20-36-62(47)79(67(49)64)70-53(42-75)69(77-58-32-16-8-22-43(58)44-23-9-17-33-59(44)77)66(76-5)71(72(70)78-60-34-18-10-24-45(60)46-25-11-19-35-61(46)78)80-63-37-21-13-27-48(63)50-39-41-57-65(68(50)80)52-29-7-15-31-55(52)74(57,3)4;1-73(2)56-30-14-6-22-43(56)51-40-66-53(38-58(51)73)49-28-12-20-36-64(49)79(66)70-55(42-75)69(77-60-32-16-8-24-45(60)46-25-9-17-33-61(46)77)68(76-5)71(72(70)78-62-34-18-10-26-47(62)48-27-11-19-35-63(48)78)80-65-37-21-13-29-50(65)54-39-59-52(41-67(54)80)44-23-7-15-31-57(44)74(59,3)4;1-73(2)56-30-14-6-22-43(56)51-38-40-53-49-28-12-20-36-62(49)79(67(53)64(51)73)70-55(42-75)69(77-58-32-16-8-24-45(58)46-25-9-17-33-59(46)77)66(76-5)71(72(70)78-60-34-18-10-26-47(60)48-27-11-19-35-61(48)78)80-63-37-21-13-29-50(63)54-41-39-52-44-23-7-15-31-57(44)74(3,4)65(52)68(54)80/h3*6-41H,1-4H3
InChIKeyZLWJMCGPHWRWRC-UHFFFAOYSA-N
MW3063.72 g/mol
LogP57.33
Rot. Bonds12

About 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile

2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile (PubChem CID 162156345) has the molecular formula C222H144N18 and a molecular weight of 3063.72 g/mol. Its IUPAC name is 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile.

Molecular Properties

Compound Name2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
PubChem CID162156345
Molecular FormulaC222H144N18
Molecular Weight3063.72 g/mol
Exact Mass3061.18
IUPAC Name2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(C)C.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccc4c(c32)C(C)(C)c2ccccc2-4)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccc3c(c21)C(C)(C)c1ccccc1-3
InChIInChI=1S/3C74H48N6/c1-73(2)54-30-14-6-28-51(54)64-56(73)40-38-49-47-26-12-20-36-62(47)79(67(49)64)70-53(42-75)69(77-58-32-16-8-22-43(58)44-23-9-17-33-59(44)77)66(76-5)71(72(70)78-60-34-18-10-24-45(60)46-25-11-19-35-61(46)78)80-63-37-21-13-27-48(63)50-39-41-57-65(68(50)80)52-29-7-15-31-55(52)74(57,3)4;1-73(2)56-30-14-6-22-43(56)51-40-66-53(38-58(51)73)49-28-12-20-36-64(49)79(66)70-55(42-75)69(77-60-32-16-8-24-45(60)46-25-9-17-33-61(46)77)68(76-5)71(72(70)78-62-34-18-10-26-47(62)48-27-11-19-35-63(48)78)80-65-37-21-13-29-50(65)54-39-59-52(41-67(54)80)44-23-7-15-31-57(44)74(59,3)4;1-73(2)56-30-14-6-22-43(56)51-38-40-53-49-28-12-20-36-62(49)79(67(53)64(51)73)70-55(42-75)69(77-58-32-16-8-24-45(58)46-25-9-17-33-59(46)77)66(76-5)71(72(70)78-60-34-18-10-26-47(60)48-27-11-19-35-61(48)78)80-63-37-21-13-29-50(63)54-41-39-52-44-23-7-15-31-57(44)74(3,4)65(52)68(54)80/h3*6-41H,1-4H3
InChIKeyZLWJMCGPHWRWRC-UHFFFAOYSA-N
XLogP57.33
TPSA143.61 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003063.72
LogP ≤ 557.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile with MolForge

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Related Compounds

4,5,6-tri(carbazol-9-yl)-2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 146325148
3,4,5-tri(carbazol-9-yl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanobenzonitrile
CID 156680284
2,3,4-tri(carbazol-9-yl)-6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-5-isocyanobenzonitrile
CID 156680308
2,4,5-tri(carbazol-9-yl)-6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
CID 156680190
3,4-di(carbazol-9-yl)-2,5-bis(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-6-isocyanobenzonitrile
CID 156680254
3-(4-carbazol-9-yl-2-cyanophenyl)-6-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-isocyanobenzonitrile
CID 140794194
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
CID 140705041
2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
CID 146739965
5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163495643
4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 155064412

Frequently Asked Questions

What is the IUPAC name of 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile?
The IUPAC name of 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile (CID 162156345) is 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile.
What is the SMILES notation for 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile?
The canonical SMILES for 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile is [C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(C)C.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccc4c(c32)C(C)(C)c2ccccc2-4)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccc3c(c21)C(C)(C)c1ccccc1-3.
What is the InChIKey of 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile?
The InChIKey is ZLWJMCGPHWRWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C74H48N6/c1-73(2)54-30-14-6-28-51(54)64-56(73)40-38-49-47-26-12-20-36-62(47)79(67(49)64)70-53(42-75)69(77-58-32-16-8-22-43(58)44-23-9-17-33-59(44)77)66(76-5)71(72(70)78-60-34-18-10-24-45(60)46-25-11-19-35-61(46)78)80-63-37-21-13-27-48(63)50-39-41-57-65(68(50)80)52-29-7-15-31-55(52)74(57,3)4;1-73(2)56-30-14-6-22-43(56)51-40-66-53(38-58(51)73)49-28-12-20-36-64(49)79(66)70-55(42-75)69(77-60-32-16-8-24-45(60)46-25-9-17-33-61(46)77)68(76-5)71(72(70)78-62-34-18-10-26-47(62)48-27-11-19-35-63(48)78)80-65-37-21-13-29-50(65)54-39-59-52(41-67(54)80)44-23-7-15-31-57(44)74(59,3)4;1-73(2)56-30-14-6-22-43(56)51-38-40-53-49-28-12-20-36-62(49)79(67(53)64(51)73)70-55(42-75)69(77-58-32-16-8-24-45(58)46-25-9-17-33-59(46)77)66(76-5)71(72(70)78-60-34-18-10-26-47(60)48-27-11-19-35-61(48)78)80-63-37-21-13-29-50(63)54-41-39-52-44-23-7-15-31-57(44)74(3,4)65(52)68(54)80/h3*6-41H,1-4H3.
What are the key properties of 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile?
2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile has a molecular weight of 3063.72 g/mol, XLogP of 57.33, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile is sourced from PubChem (CID 162156345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).