N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide

C56H39N5 — CID 142318896

IUPACN'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide
SMILES[H]/N=C(/N=C(\N)c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C56H39N5/c57-55(39-22-8-3-9-23-39)59-56(58)47-32-33-52(60-48-28-14-10-24-43(48)44-25-11-15-29-49(44)60)54(61-50-30-16-12-26-45(50)46-27-13-17-31-51(46)61)53(47)42-35-40(37-18-4-1-5-19-37)34-41(36-42)38-20-6-2-7-21-38/h1-36H,(H3,57,58,59)
InChIKeyIAMSRIKWJYQHCW-UHFFFAOYSA-N
MW781.96 g/mol
LogP13.61
Rot. Bonds7

About N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide

N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide (PubChem CID 142318896) has the molecular formula C56H39N5 and a molecular weight of 781.96 g/mol. Its IUPAC name is N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide
PubChem CID142318896
Molecular FormulaC56H39N5
Molecular Weight781.96 g/mol
Exact Mass781.32
IUPAC NameN'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide
SMILES[H]/N=C(/N=C(\N)c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C56H39N5/c57-55(39-22-8-3-9-23-39)59-56(58)47-32-33-52(60-48-28-14-10-24-43(48)44-25-11-15-29-49(44)60)54(61-50-30-16-12-26-45(50)46-27-13-17-31-51(46)61)53(47)42-35-40(37-18-4-1-5-19-37)34-41(36-42)38-20-6-2-7-21-38/h1-36H,(H3,57,58,59)
InChIKeyIAMSRIKWJYQHCW-UHFFFAOYSA-N
XLogP13.61
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.96
LogP ≤ 513.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide
CID 142318992
N'-(benzenecarboximidoyl)-2-carbazol-9-ylbenzenecarboximidamide
CID 142318949
N'-(benzenecarboximidoyl)-3-[5-[9-(4-phenylphenyl)carbazol-2-yl]triphenylen-2-yl]benzenecarboximidamide
CID 145452787
N-[amino-[4-(3-cyanophenyl)phenyl]methylidene]-4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
CID 170133419
N-[amino(phenyl)methylidene]-1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)naphthalene-2-carboximidamide
CID 166656564
N'-(3,5-diphenylbenzenecarboximidoyl)carbamimidoyl chloride
CID 156530281
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide
CID 170131493
N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
CID 174023175
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
CID 167401485
N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide
CID 135245314

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide (CID 142318896) is N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide is [H]/N=C(/N=C(\N)c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide?
The InChIKey is IAMSRIKWJYQHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N5/c57-55(39-22-8-3-9-23-39)59-56(58)47-32-33-52(60-48-28-14-10-24-43(48)44-25-11-15-29-49(44)60)54(61-50-30-16-12-26-45(50)46-27-13-17-31-51(46)61)53(47)42-35-40(37-18-4-1-5-19-37)34-41(36-42)38-20-6-2-7-21-38/h1-36H,(H3,57,58,59).
What are the key properties of N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide?
N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide has a molecular weight of 781.96 g/mol, XLogP of 13.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide is sourced from PubChem (CID 142318896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).