N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide

C41H34N4 — CID 155203954

IUPACN-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(C(/N=C(\N)c3ccccc3)=N\Cc3ccccc3)cc2)cc1
InChIInChI=1S/C41H34N4/c1-28-13-23-38-36(25-28)37-26-29(2)14-24-39(37)45(38)35-21-19-32(20-22-35)31-15-17-34(18-16-31)41(43-27-30-9-5-3-6-10-30)44-40(42)33-11-7-4-8-12-33/h3-26H,27H2,1-2H3,(H2,42,43,44)
InChIKeyFPLGFCICMKCJFX-UHFFFAOYSA-N
MW582.75 g/mol
LogP9.42
Rot. Bonds6

About N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide

N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide (PubChem CID 155203954) has the molecular formula C41H34N4 and a molecular weight of 582.75 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
PubChem CID155203954
Molecular FormulaC41H34N4
Molecular Weight582.75 g/mol
Exact Mass582.28
IUPAC NameN-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(C(/N=C(\N)c3ccccc3)=N\Cc3ccccc3)cc2)cc1
InChIInChI=1S/C41H34N4/c1-28-13-23-38-36(25-28)37-26-29(2)14-24-39(37)45(38)35-21-19-32(20-22-35)31-15-17-34(18-16-31)41(43-27-30-9-5-3-6-10-30)44-40(42)33-11-7-4-8-12-33/h3-26H,27H2,1-2H3,(H2,42,43,44)
InChIKeyFPLGFCICMKCJFX-UHFFFAOYSA-N
XLogP9.42
TPSA55.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
CID 145268808
N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 171052336
N-[amino(phenyl)methylidene]-4-([1]benzofuro[2,3-a]carbazol-12-yl)-N'-benzylbenzenecarboximidamide
CID 156624021
N-[amino(phenyl)methylidene]-N'-benzyl-3-(16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaen-10-yl)benzenecarboximidamide
CID 144645140
N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
CID 170136276
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
CID 170137005
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 143099604
N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide
CID 163554840
N-[amino-(4-spiro[acridine-9,2'-adamantane]-10-ylphenyl)methylidene]-4-methyl-N'-[(4-methylphenyl)methyl]benzenecarboximidamide
CID 163554841

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide (CID 155203954) is N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(C(/N=C(\N)c3ccccc3)=N\Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide?
The InChIKey is FPLGFCICMKCJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N4/c1-28-13-23-38-36(25-28)37-26-29(2)14-24-39(37)45(38)35-21-19-32(20-22-35)31-15-17-34(18-16-31)41(43-27-30-9-5-3-6-10-30)44-40(42)33-11-7-4-8-12-33/h3-26H,27H2,1-2H3,(H2,42,43,44).
What are the key properties of N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide?
N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide has a molecular weight of 582.75 g/mol, XLogP of 9.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 155203954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).