1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide

C57H41N5Si — CID 167687280

IUPAC1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide
SMILES[H]/N=C(\N=C(/N=Cn1c2c([2H])c([2H])c([2H])c([2H])c2c2c([2H])c([2H])c([2H])c([2H])c21)n1c2c([2H])c([2H])c([2H])c([2H])c2c2c([2H])c([2H])c([2H])c([2H])c21)c1c([2H])c([2H])c([2H])c([Si](c2cc([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])c1[2H]
InChIInChI=1S/C57H41N5Si/c58-56(43-23-19-29-47(39-43)63(44-24-6-2-7-25-44,45-26-8-3-9-27-45)46-28-18-22-42(38-46)41-20-4-1-5-21-41)60-57(62-54-36-16-12-32-50(54)51-33-13-17-37-55(51)62)59-40-61-52-34-14-10-30-48(52)49-31-11-15-35-53(49)61/h1-40,58H/b58-56-,59-40?,60-57+/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D
InChIKeyQMSBRINVTZNTSW-ATLVZQDUSA-N
MW862.31 g/mol
LogP10.75
Rot. Bonds7

About 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide

1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide (PubChem CID 167687280) has the molecular formula C57H41N5Si and a molecular weight of 862.31 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide
PubChem CID167687280
Molecular FormulaC57H41N5Si
Molecular Weight862.31 g/mol
Exact Mass861.55
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide
SMILES[H]/N=C(\N=C(/N=Cn1c2c([2H])c([2H])c([2H])c([2H])c2c2c([2H])c([2H])c([2H])c([2H])c21)n1c2c([2H])c([2H])c([2H])c([2H])c2c2c([2H])c([2H])c([2H])c([2H])c21)c1c([2H])c([2H])c([2H])c([Si](c2cc([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])c1[2H]
InChIInChI=1S/C57H41N5Si/c58-56(43-23-19-29-47(39-43)63(44-24-6-2-7-25-44,45-26-8-3-9-27-45)46-28-18-22-42(38-46)41-20-4-1-5-21-41)60-57(62-54-36-16-12-32-50(54)51-33-13-17-37-55(51)62)59-40-61-52-34-14-10-30-48(52)49-31-11-15-35-53(49)61/h1-40,58H/b58-56-,59-40?,60-57+/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D
InChIKeyQMSBRINVTZNTSW-ATLVZQDUSA-N
XLogP10.75
TPSA58.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.31
LogP ≤ 510.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-1,2,3,4-tetradeuterio-N-[(1,2,3,4-tetradeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-phenyl-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide
CID 164843246
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
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
bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane
CID 165035122
[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-tris[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
CID 177070155
tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane
CID 169045475
bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,4,5,6,8-heptadeuterio-7-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]carbazol-9-yl]carbazol-9-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
CID 177276564
(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane
CID 177070136
bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-[2,3,4,6-tetradeuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177070026
tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-(6,7,8,9,10,12-hexadeuterio-[1]benzofuro[3,2-b]carbazol-11-yl)-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177070116
[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
CID 168800210
bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[2,3,4,6-tetradeuterio-5-[5-deuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
CID 164843238

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide (CID 167687280) is 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide is [H]/N=C(\N=C(/N=Cn1c2c([2H])c([2H])c([2H])c([2H])c2c2c([2H])c([2H])c([2H])c([2H])c21)n1c2c([2H])c([2H])c([2H])c([2H])c2c2c([2H])c([2H])c([2H])c([2H])c21)c1c([2H])c([2H])c([2H])c([Si](c2cc([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[2H])c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide?
The InChIKey is QMSBRINVTZNTSW-ATLVZQDUSA-N. The full InChI is InChI=1S/C57H41N5Si/c58-56(43-23-19-29-47(39-43)63(44-24-6-2-7-25-44,45-26-8-3-9-27-45)46-28-18-22-42(38-46)41-20-4-1-5-21-41)60-57(62-54-36-16-12-32-50(54)51-33-13-17-37-55(51)62)59-40-61-52-34-14-10-30-48(52)49-31-11-15-35-53(49)61/h1-40,58H/b58-56-,59-40?,60-57+/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide?
1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide has a molecular weight of 862.31 g/mol, XLogP of 10.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[2,3,4,6-tetradeuterio-5-[(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5-tetradeuteriophenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide is sourced from PubChem (CID 167687280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).