4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C141H91N13Si3 — CID 165003181

IUPAC4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc([N+]#[C-])ccc54)c(C#N)ccc32)c1
InChIInChI=1S/C58H42N4Si2.C50H32N4Si.C33H17N5/c1-59-47-26-20-23-44(41-47)56-60-57(45-24-21-39-54(42-45)63(48-27-8-2-9-28-48,49-29-10-3-11-30-49)50-31-12-4-13-32-50)62-58(61-56)46-25-22-40-55(43-46)64(51-33-14-5-15-34-51,52-35-16-6-17-36-52)53-37-18-7-19-38-53;51-33-35-27-29-47-44(31-35)42-23-10-12-25-45(42)54(47)50-36(34-52)28-30-48-49(50)43-24-11-13-26-46(43)53(48)37-15-14-22-41(32-37)55(38-16-4-1-5-17-38,39-18-6-2-7-19-39)40-20-8-3-9-21-40;1-35-22-8-7-9-24(18-22)37-29-13-6-4-11-26(29)32-31(37)16-14-21(20-34)33(32)38-28-12-5-3-10-25(28)27-19-23(36-2)15-17-30(27)38/h2-43H;1-32H;3-19H
InChIKeyIOHWOUGQUMQXJU-UHFFFAOYSA-N
MW2051.63 g/mol
LogP26.03
Rot. Bonds19

About 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 165003181) has the molecular formula C141H91N13Si3 and a molecular weight of 2051.63 g/mol. Its IUPAC name is 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
PubChem CID165003181
Molecular FormulaC141H91N13Si3
Molecular Weight2051.63 g/mol
Exact Mass2049.68
IUPAC Name4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc([N+]#[C-])ccc54)c(C#N)ccc32)c1
InChIInChI=1S/C58H42N4Si2.C50H32N4Si.C33H17N5/c1-59-47-26-20-23-44(41-47)56-60-57(45-24-21-39-54(42-45)63(48-27-8-2-9-28-48,49-29-10-3-11-30-49)50-31-12-4-13-32-50)62-58(61-56)46-25-22-40-55(43-46)64(51-33-14-5-15-34-51,52-35-16-6-17-36-52)53-37-18-7-19-38-53;51-33-35-27-29-47-44(31-35)42-23-10-12-25-45(42)54(47)50-36(34-52)28-30-48-49(50)43-24-11-13-26-46(43)53(48)37-15-14-22-41(32-37)55(38-16-4-1-5-17-38,39-18-6-2-7-19-39)40-20-8-3-9-21-40;1-35-22-8-7-9-24(18-22)37-29-13-6-4-11-26(29)32-31(37)16-14-21(20-34)33(32)38-28-12-5-3-10-25(28)27-19-23(36-2)15-17-30(27)38/h2-43H;1-32H;3-19H
InChIKeyIOHWOUGQUMQXJU-UHFFFAOYSA-N
XLogP26.03
TPSA142.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002051.63
LogP ≤ 526.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane with MolForge

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Related Compounds

bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane;4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile
CID 165057358
9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159899289
3-(3-isocyano-5-phenylphenyl)-9-phenyl-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile
CID 158088648
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-isocyano-5-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole-2-carbonitrile;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole-10-carbonitrile;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[2,3-g]carbazole-3-carbonitrile
CID 158229297
9-[3-[3-(9-isocyano-5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822760
9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile
CID 170522027
6-isocyano-9-[4-[4-[(3-isocyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 153318654
9-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511
[4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane;[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;9-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 160567340
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 162500621
9-[3-[3-(2-isocyano-11-phenylindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823063
2-(3-isocyanocarbazol-9-yl)-5-(3-triphenylsilylphenyl)benzonitrile
CID 153318850

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
The IUPAC name of 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 165003181) is 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.
What is the SMILES notation for 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
The canonical SMILES for 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc([N+]#[C-])ccc54)c(C#N)ccc32)c1.
What is the InChIKey of 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
The InChIKey is IOHWOUGQUMQXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4Si2.C50H32N4Si.C33H17N5/c1-59-47-26-20-23-44(41-47)56-60-57(45-24-21-39-54(42-45)63(48-27-8-2-9-28-48,49-29-10-3-11-30-49)50-31-12-4-13-32-50)62-58(61-56)46-25-22-40-55(43-46)64(51-33-14-5-15-34-51,52-35-16-6-17-36-52)53-37-18-7-19-38-53;51-33-35-27-29-47-44(31-35)42-23-10-12-25-45(42)54(47)50-36(34-52)28-30-48-49(50)43-24-11-13-26-46(43)53(48)37-15-14-22-41(32-37)55(38-16-4-1-5-17-38,39-18-6-2-7-19-39)40-20-8-3-9-21-40;1-35-22-8-7-9-24(18-22)37-29-13-6-4-11-26(29)32-31(37)16-14-21(20-34)33(32)38-28-12-5-3-10-25(28)27-19-23(36-2)15-17-30(27)38/h2-43H;1-32H;3-19H.
What are the key properties of 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 2051.63 g/mol, XLogP of 26.03, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanocarbazol-9-yl)-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-9-(3-isocyanophenyl)carbazole-3-carbonitrile;[3-[4-(3-isocyanophenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 165003181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).