[2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane

C45H28N4Si — CID 153318722

IUPAC[2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc([N+]#[C-])c1-c1ccc([N+]#[C-])c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C45H28N4Si/c1-46-33-27-29-42-38(31-33)37-22-13-14-24-41(37)49(42)43-25-15-23-40(48-3)45(43)32-26-28-39(47-2)44(30-32)50(34-16-7-4-8-17-34,35-18-9-5-10-19-35)36-20-11-6-12-21-36/h4-31H
InChIKeyPOLWOGDEPMCFPN-UHFFFAOYSA-N
MW652.83 g/mol
LogP9.48
Rot. Bonds6

About [2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane

[2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane (PubChem CID 153318722) has the molecular formula C45H28N4Si and a molecular weight of 652.83 g/mol. Its IUPAC name is [2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
PubChem CID153318722
Molecular FormulaC45H28N4Si
Molecular Weight652.83 g/mol
Exact Mass652.21
IUPAC Name[2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc([N+]#[C-])c1-c1ccc([N+]#[C-])c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C45H28N4Si/c1-46-33-27-29-42-38(31-33)37-22-13-14-24-41(37)49(42)43-25-15-23-40(48-3)45(43)32-26-28-39(47-2)44(30-32)50(34-16-7-4-8-17-34,35-18-9-5-10-19-35)36-20-11-6-12-21-36/h4-31H
InChIKeyPOLWOGDEPMCFPN-UHFFFAOYSA-N
XLogP9.48
TPSA18.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.83
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[2-(2-carbazol-9-yl-5-isocyanophenyl)-3-isocyanophenyl]-triphenylsilane
CID 153318372
2-(3-cyano-4-triphenylsilylphenyl)-3-(3-isocyanocarbazol-9-yl)benzonitrile
CID 153318808
9-[3-isocyano-2-[3-isocyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole
CID 167336267
3-(2-carbazol-9-yl-6-isocyanophenyl)-5-triphenylsilylbenzonitrile
CID 153318872
9-[3-isocyano-2-(18-isocyano-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)phenyl]carbazole
CID 153462869
9-[2-(3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3-isocyanophenyl]-3-isocyanocarbazole
CID 153462816
9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole
CID 140822602
2-(3-isocyanocarbazol-9-yl)-5-(3-triphenylsilylphenyl)benzonitrile
CID 153318850
9-[3-isocyano-2-[16-(4-isocyanophenyl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]phenyl]carbazole
CID 167399484
3-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 167382188
[4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318560
[3-[4-carbazol-9-yl-6-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836332

Frequently Asked Questions

What is the IUPAC name of [2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
The IUPAC name of [2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane (CID 153318722) is [2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
The canonical SMILES for [2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc([N+]#[C-])c1-c1ccc([N+]#[C-])c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
The InChIKey is POLWOGDEPMCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4Si/c1-46-33-27-29-42-38(31-33)37-22-13-14-24-41(37)49(42)43-25-15-23-40(48-3)45(43)32-26-28-39(47-2)44(30-32)50(34-16-7-4-8-17-34,35-18-9-5-10-19-35)36-20-11-6-12-21-36/h4-31H.
What are the key properties of [2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
[2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane has a molecular weight of 652.83 g/mol, XLogP of 9.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-isocyano-5-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 153318722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).