bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile

C170H119N9Si — CID 165028527

IUPACbis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile
SMILESCC(C)(C)c1ccc(-n2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.[C-]#[N+]c1cc(C#N)cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.c1ccc([Si](c2ccccc2)(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C72H48N4Si.C60H49N.C38H22N4/c1-3-23-53(24-4-1)77(54-25-5-2-6-26-54,55-45-49(73-65-35-15-7-27-57(65)58-28-8-16-36-66(58)73)43-50(46-55)74-67-37-17-9-29-59(67)60-30-10-18-38-68(60)74)56-47-51(75-69-39-19-11-31-61(69)62-32-12-20-40-70(62)75)44-52(48-56)76-71-41-21-13-33-63(71)64-34-14-22-42-72(64)76;1-58(2,3)44-34-38-53(39-35-44)61-56-40-36-51(59(45-22-10-4-11-23-45,46-24-12-5-13-25-46)47-26-14-6-15-27-47)42-54(56)55-43-52(37-41-57(55)61)60(48-28-16-7-17-29-48,49-30-18-8-19-31-49)50-32-20-9-21-33-50;1-40-28-19-25(24-39)18-26(20-28)27-21-29(41-35-14-6-2-10-31(35)32-11-3-7-15-36(32)41)23-30(22-27)42-37-16-8-4-12-33(37)34-13-5-9-17-38(34)42/h1-48H;4-43H,1-3H3;2-23H
InChIKeyMGUINVSSZLKVSK-UHFFFAOYSA-N
MW2315.97 g/mol
LogP40.27
Rot. Bonds20

About bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile

bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile (PubChem CID 165028527) has the molecular formula C170H119N9Si and a molecular weight of 2315.97 g/mol. Its IUPAC name is bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile.

Molecular Properties

Compound Namebis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile
PubChem CID165028527
Molecular FormulaC170H119N9Si
Molecular Weight2315.97 g/mol
Exact Mass2313.94
IUPAC Namebis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile
SMILESCC(C)(C)c1ccc(-n2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.[C-]#[N+]c1cc(C#N)cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.c1ccc([Si](c2ccccc2)(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C72H48N4Si.C60H49N.C38H22N4/c1-3-23-53(24-4-1)77(54-25-5-2-6-26-54,55-45-49(73-65-35-15-7-27-57(65)58-28-8-16-36-66(58)73)43-50(46-55)74-67-37-17-9-29-59(67)60-30-10-18-38-68(60)74)56-47-51(75-69-39-19-11-31-61(69)62-32-12-20-40-70(62)75)44-52(48-56)76-71-41-21-13-33-63(71)64-34-14-22-42-72(64)76;1-58(2,3)44-34-38-53(39-35-44)61-56-40-36-51(59(45-22-10-4-11-23-45,46-24-12-5-13-25-46)47-26-14-6-15-27-47)42-54(56)55-43-52(37-41-57(55)61)60(48-28-16-7-17-29-48,49-30-18-8-19-31-49)50-32-20-9-21-33-50;1-40-28-19-25(24-39)18-26(20-28)27-21-29(41-35-14-6-2-10-31(35)32-11-3-7-15-36(32)41)23-30(22-27)42-37-16-8-4-12-33(37)34-13-5-9-17-38(34)42/h1-48H;4-43H,1-3H3;2-23H
InChIKeyMGUINVSSZLKVSK-UHFFFAOYSA-N
XLogP40.27
TPSA62.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002315.97
LogP ≤ 540.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile with MolForge

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Related Compounds

[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318570
[3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane
CID 153318392
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
3-[4-carbazol-9-yl-6-(3-isocyano-5-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-5-triphenylsilylbenzonitrile
CID 171737240
3-isocyano-5-[3,4,5-tris(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile
CID 140878395
3-[9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]-5-isocyanobenzonitrile
CID 158031667
2-(3,5-diphenylphenyl)-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-[6-[4-[7-(3-isocyano-5-phenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-2-yl]-5-phenylbenzonitrile
CID 157208195
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
3-(3-carbazol-9-ylphenyl)-5-(3-isocyanocarbazol-9-yl)benzonitrile
CID 140852986
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
3-carbazol-9-yl-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(3-isocyanocarbazol-9-yl)benzonitrile
CID 158377792
3-[9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 159128911

Frequently Asked Questions

What is the IUPAC name of bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile?
The IUPAC name of bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile (CID 165028527) is bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile.
What is the SMILES notation for bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile?
The canonical SMILES for bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile is CC(C)(C)c1ccc(-n2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.[C-]#[N+]c1cc(C#N)cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.c1ccc([Si](c2ccccc2)(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile?
The InChIKey is MGUINVSSZLKVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4Si.C60H49N.C38H22N4/c1-3-23-53(24-4-1)77(54-25-5-2-6-26-54,55-45-49(73-65-35-15-7-27-57(65)58-28-8-16-36-66(58)73)43-50(46-55)74-67-37-17-9-29-59(67)60-30-10-18-38-68(60)74)56-47-51(75-69-39-19-11-31-61(69)62-32-12-20-40-70(62)75)44-52(48-56)76-71-41-21-13-33-63(71)64-34-14-22-42-72(64)76;1-58(2,3)44-34-38-53(39-35-44)61-56-40-36-51(59(45-22-10-4-11-23-45,46-24-12-5-13-25-46)47-26-14-6-15-27-47)42-54(56)55-43-52(37-41-57(55)61)60(48-28-16-7-17-29-48,49-30-18-8-19-31-49)50-32-20-9-21-33-50;1-40-28-19-25(24-39)18-26(20-28)27-21-29(41-35-14-6-2-10-31(35)32-11-3-7-15-36(32)41)23-30(22-27)42-37-16-8-4-12-33(37)34-13-5-9-17-38(34)42/h1-48H;4-43H,1-3H3;2-23H.
What are the key properties of bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile?
bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile has a molecular weight of 2315.97 g/mol, XLogP of 40.27, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;3-[3,5-di(carbazol-9-yl)phenyl]-5-isocyanobenzonitrile is sourced from PubChem (CID 165028527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).