N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide

C39H31N3 — CID 137285198

IUPACN-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(\NC)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C39H31N3/c1-41-39(37-26-34(30-18-10-4-11-19-30)23-35(27-37)31-20-12-5-13-21-31)42-38(40)36-24-32(28-14-6-2-7-15-28)22-33(25-36)29-16-8-3-9-17-29/h2-27H,1H3,(H2,40,41,42)
InChIKeyZEDZEQDCJXSYSE-UHFFFAOYSA-N
MW541.70 g/mol
LogP9.35
Rot. Bonds6

About N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide

N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide (PubChem CID 137285198) has the molecular formula C39H31N3 and a molecular weight of 541.70 g/mol. Its IUPAC name is N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide
PubChem CID137285198
Molecular FormulaC39H31N3
Molecular Weight541.70 g/mol
Exact Mass541.25
IUPAC NameN-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(\NC)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C39H31N3/c1-41-39(37-26-34(30-18-10-4-11-19-30)23-35(27-37)31-20-12-5-13-21-31)42-38(40)36-24-32(28-14-6-2-7-15-28)22-33(25-36)29-16-8-3-9-17-29/h2-27H,1H3,(H2,40,41,42)
InChIKeyZEDZEQDCJXSYSE-UHFFFAOYSA-N
XLogP9.35
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 59.35
H-Bond Donors ≤ 52
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'-(3,5-diphenylbenzenecarboximidoyl)carbamimidoyl chloride
CID 156530281
N'-(3,5-diphenylbenzenecarboximidoyl)-9,9'-spirobi[fluorene]-2-carboximidamide
CID 146551315
[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine
CID 144816247
ethane;1,3,5-triphenylbenzene
CID 142123051
N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide
CID 154939185
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
methyl N-(benzenecarboximidoyl)benzenecarboximidothioate
CID 10491182
N-[(methylideneamino)-phenylmethylidene]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-phenylbenzenecarboximidamide
CID 170536719
N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide
CID 142318896
N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide
CID 130393856
N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide
CID 144925903

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide?
The IUPAC name of N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide (CID 137285198) is N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide.
What is the SMILES notation for N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide?
The canonical SMILES for N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide is [H]/N=C(/N=C(\NC)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide?
The InChIKey is ZEDZEQDCJXSYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3/c1-41-39(37-26-34(30-18-10-4-11-19-30)23-35(27-37)31-20-12-5-13-21-31)42-38(40)36-24-32(28-14-6-2-7-15-28)22-33(25-36)29-16-8-3-9-17-29/h2-27H,1H3,(H2,40,41,42).
What are the key properties of N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide?
N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide has a molecular weight of 541.70 g/mol, XLogP of 9.35, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide is sourced from PubChem (CID 137285198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).