(3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile

C194H131N7O2SSi4 — CID 159899285

IUPAC(3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)c1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c32)cc1
InChIInChI=1S/C50H32N4Si.2C48H33NOSi.C48H33NSSi/c1-52-36-28-30-48-45(32-36)44-31-35(34-51)27-29-47(44)53(48)38-17-13-22-41(33-38)55(39-18-7-3-8-19-39,40-20-9-4-10-21-40)49-26-14-24-43-42-23-11-12-25-46(42)54(50(43)49)37-15-5-2-6-16-37;1-4-17-36(18-5-1)49-44-27-12-10-24-40(44)43-26-15-29-47(48(43)49)51(37-19-6-2-7-20-37,38-21-8-3-9-22-38)39-23-14-16-34(32-39)35-30-31-42-41-25-11-13-28-45(41)50-46(42)33-35;2*1-4-15-36(16-5-1)49-44-24-12-10-21-40(44)43-23-14-26-47(48(43)49)51(37-17-6-2-7-18-37,38-19-8-3-9-20-38)39-30-27-34(28-31-39)35-29-32-42-41-22-11-13-25-45(41)50-46(42)33-35/h2-33H;3*1-33H
InChIKeyNVTBBUNWFVTSMS-UHFFFAOYSA-N
MW2736.64 g/mol
LogP39.33
Rot. Bonds24

About (3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile

(3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile (PubChem CID 159899285) has the molecular formula C194H131N7O2SSi4 and a molecular weight of 2736.64 g/mol. Its IUPAC name is (3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile.

Molecular Properties

Compound Name(3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
PubChem CID159899285
Molecular FormulaC194H131N7O2SSi4
Molecular Weight2736.64 g/mol
Exact Mass2733.92
IUPAC Name(3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)c1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c32)cc1
InChIInChI=1S/C50H32N4Si.2C48H33NOSi.C48H33NSSi/c1-52-36-28-30-48-45(32-36)44-31-35(34-51)27-29-47(44)53(48)38-17-13-22-41(33-38)55(39-18-7-3-8-19-39,40-20-9-4-10-21-40)49-26-14-24-43-42-23-11-12-25-46(42)54(50(43)49)37-15-5-2-6-16-37;1-4-17-36(18-5-1)49-44-27-12-10-24-40(44)43-26-15-29-47(48(43)49)51(37-19-6-2-7-20-37,38-21-8-3-9-22-38)39-23-14-16-34(32-39)35-30-31-42-41-25-11-13-28-45(41)50-46(42)33-35;2*1-4-15-36(16-5-1)49-44-24-12-10-21-40(44)43-23-14-26-47(48(43)49)51(37-17-6-2-7-18-37,38-19-8-3-9-20-38)39-30-27-34(28-31-39)35-29-32-42-41-22-11-13-25-45(41)50-46(42)33-35/h2-33H;3*1-33H
InChIKeyNVTBBUNWFVTSMS-UHFFFAOYSA-N
XLogP39.33
TPSA79.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms208
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002736.64
LogP ≤ 539.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159899289
9-[3-[3-(9-isocyano-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822721
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-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-(3-carbazol-9-ylphenyl)-(3-isocyanophenyl)silyl]benzonitrile;[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane;9-[3-[[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile;9-[3-[[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenylsilyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 165065891
6-isocyano-9-[4-[4-[(3-isocyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 153318654
9-[3-[3-(9-isocyano-5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822760
dibenzofuran-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane;dibenzofuran-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane;dibenzothiophen-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 159706684
4-[(4-carbazol-9-ylphenyl)-phenyl-(9-phenylcarbazol-1-yl)silyl]benzonitrile;[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane
CID 158834819
9-[3-[2-[3-(8-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 140823139
9-[3-[3-(2-isocyano-11-phenylindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823063
9-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511
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

Frequently Asked Questions

What is the IUPAC name of (3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile?
The IUPAC name of (3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile (CID 159899285) is (3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile.
What is the SMILES notation for (3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile?
The canonical SMILES for (3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile is [C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)c1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c32)cc1.
What is the InChIKey of (3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile?
The InChIKey is NVTBBUNWFVTSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4Si.2C48H33NOSi.C48H33NSSi/c1-52-36-28-30-48-45(32-36)44-31-35(34-51)27-29-47(44)53(48)38-17-13-22-41(33-38)55(39-18-7-3-8-19-39,40-20-9-4-10-21-40)49-26-14-24-43-42-23-11-12-25-46(42)54(50(43)49)37-15-5-2-6-16-37;1-4-17-36(18-5-1)49-44-27-12-10-24-40(44)43-26-15-29-47(48(43)49)51(37-19-6-2-7-20-37,38-21-8-3-9-22-38)39-23-14-16-34(32-39)35-30-31-42-41-25-11-13-28-45(41)50-46(42)33-35;2*1-4-15-36(16-5-1)49-44-24-12-10-21-40(44)43-23-14-26-47(48(43)49)51(37-17-6-2-7-18-37,38-19-8-3-9-20-38)39-30-27-34(28-31-39)35-29-32-42-41-22-11-13-25-45(41)50-46(42)33-35/h2-33H;3*1-33H.
What are the key properties of (3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile?
(3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile has a molecular weight of 2736.64 g/mol, XLogP of 39.33, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzofuran-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;(4-dibenzothiophen-3-ylphenyl)-diphenyl-(9-phenylcarbazol-1-yl)silane;9-[3-[diphenyl-(9-phenylcarbazol-1-yl)silyl]phenyl]-6-isocyanocarbazole-3-carbonitrile is sourced from PubChem (CID 159899285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).