N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide

C45H34N4Si — CID 169044297

IUPACN-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/N=C/n1c2ccccc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C45H34N4Si/c46-44(34-18-6-1-7-19-34)48-45(35-20-8-2-9-21-35)47-33-49-42-29-17-16-28-40(42)41-32-39(30-31-43(41)49)50(36-22-10-3-11-23-36,37-24-12-4-13-25-37)38-26-14-5-15-27-38/h1-33,46H/b46-44+,47-33+,48-45+
InChIKeyAOTYFJXHCIQCLT-GSKNZZNJSA-N
MW658.88 g/mol
LogP7.52
Rot. Bonds7

About N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide

N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide (PubChem CID 169044297) has the molecular formula C45H34N4Si and a molecular weight of 658.88 g/mol. Its IUPAC name is N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide
PubChem CID169044297
Molecular FormulaC45H34N4Si
Molecular Weight658.88 g/mol
Exact Mass658.26
IUPAC NameN-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/N=C/n1c2ccccc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C45H34N4Si/c46-44(34-18-6-1-7-19-34)48-45(35-20-8-2-9-21-35)47-33-49-42-29-17-16-28-40(42)41-32-39(30-31-43(41)49)50(36-22-10-3-11-23-36,37-24-12-4-13-25-37)38-26-14-5-15-27-38/h1-33,46H/b46-44+,47-33+,48-45+
InChIKeyAOTYFJXHCIQCLT-GSKNZZNJSA-N
XLogP7.52
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.88
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[(carbazol-9-ylmethylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)benzenecarboximidamide
CID 170536763
1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide
CID 167687279
4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
CID 167401485
triphenyl-(3-triphenylsilylcarbazol-9-yl)silane
CID 146048426
1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane
CID 59221914
[9-(2-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811116
N-[(benzylideneamino)-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]naphthalene-2-carboximidamide
CID 156624019
(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane
CID 59270862
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
bis(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-diphenylsilane
CID 58489663
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide?
The IUPAC name of N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide (CID 169044297) is N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide.
What is the SMILES notation for N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide?
The canonical SMILES for N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide is [H]/N=C(/N=C(/N=C/n1c2ccccc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide?
The InChIKey is AOTYFJXHCIQCLT-GSKNZZNJSA-N. The full InChI is InChI=1S/C45H34N4Si/c46-44(34-18-6-1-7-19-34)48-45(35-20-8-2-9-21-35)47-33-49-42-29-17-16-28-40(42)41-32-39(30-31-43(41)49)50(36-22-10-3-11-23-36,37-24-12-4-13-25-37)38-26-14-5-15-27-38/h1-33,46H/b46-44+,47-33+,48-45+.
What are the key properties of N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide?
N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide has a molecular weight of 658.88 g/mol, XLogP of 7.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[(3-triphenylsilylcarbazol-9-yl)methylideneamino]methylidene]benzenecarboximidamide is sourced from PubChem (CID 169044297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).