N,N,N'-triphenylbenzenecarboximidamide;hydrochloride

C25H21ClN2 — CID 163338390

IUPACN,N,N'-triphenylbenzenecarboximidamide;hydrochloride
SMILESCl.c1ccc(/N=C(\c2ccccc2)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20N2.ClH/c1-5-13-21(14-6-1)25(26-22-15-7-2-8-16-22)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/b26-25+;
InChIKeyMVZATRBZTUPOAT-BTKVJIOYSA-N
MW384.91 g/mol
LogP7.03
Rot. Bonds4

About N,N,N'-triphenylbenzenecarboximidamide;hydrochloride

N,N,N'-triphenylbenzenecarboximidamide;hydrochloride (PubChem CID 163338390) has the molecular formula C25H21ClN2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N,N,N'-triphenylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN,N,N'-triphenylbenzenecarboximidamide;hydrochloride
PubChem CID163338390
Molecular FormulaC25H21ClN2
Molecular Weight384.91 g/mol
Exact Mass384.14
IUPAC NameN,N,N'-triphenylbenzenecarboximidamide;hydrochloride
SMILESCl.c1ccc(/N=C(\c2ccccc2)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20N2.ClH/c1-5-13-21(14-6-1)25(26-22-15-7-2-8-16-22)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/b26-25+;
InChIKeyMVZATRBZTUPOAT-BTKVJIOYSA-N
XLogP7.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'-(4-bromophenyl)-N,N-bis(4-hydroxyphenyl)benzenecarboximidamide
CID 3360452
4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
CID 134172989
ethane;methyl N-phenylbenzenecarboximidothioate
CID 90772274
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine
CID 58390255
1-(C,N-diphenylcarbonimidoyl)-3-phenylurea
CID 135454305
bis(2-phenylguanidine);dihydrochloride
CID 160984545
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
sodium N-phenylbenzenecarboximidate
CID 101478237
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
4-N-[4-[N-[4-[bis[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]methylideneamino]phenyl]-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-[N-[4-[bis[4-(N-phenylanilino)phenyl]methylideneamino]phenyl]-C-[4-(N-phenylanilino)phenyl]carbonimidoyl]-N,N-diphenylaniline
CID 160656529
CID 71436062
CID 71436062
3-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,1-diphenylurea
CID 19353824

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triphenylbenzenecarboximidamide;hydrochloride?
The IUPAC name of N,N,N'-triphenylbenzenecarboximidamide;hydrochloride (CID 163338390) is N,N,N'-triphenylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N,N,N'-triphenylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for N,N,N'-triphenylbenzenecarboximidamide;hydrochloride is Cl.c1ccc(/N=C(\c2ccccc2)N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N,N'-triphenylbenzenecarboximidamide;hydrochloride?
The InChIKey is MVZATRBZTUPOAT-BTKVJIOYSA-N. The full InChI is InChI=1S/C25H20N2.ClH/c1-5-13-21(14-6-1)25(26-22-15-7-2-8-16-22)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/b26-25+;.
What are the key properties of N,N,N'-triphenylbenzenecarboximidamide;hydrochloride?
N,N,N'-triphenylbenzenecarboximidamide;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triphenylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 163338390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).