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

C137H87N15Si2 — CID 165057358

IUPACbis[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
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc([N+]#[C-])ccc54)c(C#N)ccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)cc1
InChIInChI=1S/C54H38N6Si.C50H32N4Si.C33H17N5/c1-7-21-39(22-8-1)49-55-50(40-23-9-2-10-24-40)58-53(57-49)43-29-19-35-47(37-43)61(45-31-15-5-16-32-45,46-33-17-6-18-34-46)48-36-20-30-44(38-48)54-59-51(41-25-11-3-12-26-41)56-52(60-54)42-27-13-4-14-28-42;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/h1-38H;1-32H;3-19H
InChIKeyQQHSRMZXTASEDZ-UHFFFAOYSA-N
MW1999.48 g/mol
LogP27.29
Rot. Bonds18

About 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

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 (PubChem CID 165057358) has the molecular formula C137H87N15Si2 and a molecular weight of 1999.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis[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
PubChem CID165057358
Molecular FormulaC137H87N15Si2
Molecular Weight1999.48 g/mol
Exact Mass1997.68
IUPAC Namebis[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
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc([N+]#[C-])ccc54)c(C#N)ccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)cc1
InChIInChI=1S/C54H38N6Si.C50H32N4Si.C33H17N5/c1-7-21-39(22-8-1)49-55-50(40-23-9-2-10-24-40)58-53(57-49)43-29-19-35-47(37-43)61(45-31-15-5-16-32-45,46-33-17-6-18-34-46)48-36-20-30-44(38-48)54-59-51(41-25-11-3-12-26-41)56-52(60-54)42-27-13-4-14-28-42;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/h1-38H;1-32H;3-19H
InChIKeyQQHSRMZXTASEDZ-UHFFFAOYSA-N
XLogP27.29
TPSA177.15 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001999.48
LogP ≤ 527.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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'}

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Related Compounds

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
9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159899289
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
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
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-(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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 155628253
4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155656730

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc([N+]#[C-])ccc54)c(C#N)ccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is QQHSRMZXTASEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N6Si.C50H32N4Si.C33H17N5/c1-7-21-39(22-8-1)49-55-50(40-23-9-2-10-24-40)58-53(57-49)43-29-19-35-47(37-43)61(45-31-15-5-16-32-45,46-33-17-6-18-34-46)48-36-20-30-44(38-48)54-59-51(41-25-11-3-12-26-41)56-52(60-54)42-27-13-4-14-28-42;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/h1-38H;1-32H;3-19H.
What are the key properties of 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?
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 has a molecular weight of 1999.48 g/mol, XLogP of 27.29, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165057358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).