N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide

C41H33N3 — CID 154664219

IUPACN'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide
SMILESC/C(=N\C(=N\Cc1ccccc1)c1ccc(-c2ccccc2)c(C)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C41H33N3/c1-29-26-34(24-25-36(29)32-16-7-4-8-17-32)41(42-28-31-14-5-3-6-15-31)43-30(2)33-18-13-19-35(27-33)44-39-22-11-9-20-37(39)38-21-10-12-23-40(38)44/h3-27H,28H2,1-2H3/b42-41+,43-30+
InChIKeyDAQVEYXUYCZEDE-DEZLXGEUSA-N
MW567.74 g/mol
LogP10.22
Rot. Bonds6

About N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide

N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide (PubChem CID 154664219) has the molecular formula C41H33N3 and a molecular weight of 567.74 g/mol. Its IUPAC name is N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide
PubChem CID154664219
Molecular FormulaC41H33N3
Molecular Weight567.74 g/mol
Exact Mass567.27
IUPAC NameN'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide
SMILESC/C(=N\C(=N\Cc1ccccc1)c1ccc(-c2ccccc2)c(C)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C41H33N3/c1-29-26-34(24-25-36(29)32-16-7-4-8-17-32)41(42-28-31-14-5-3-6-15-31)43-30(2)33-18-13-19-35(27-33)44-39-22-11-9-20-37(39)38-21-10-12-23-40(38)44/h3-27H,28H2,1-2H3/b42-41+,43-30+
InChIKeyDAQVEYXUYCZEDE-DEZLXGEUSA-N
XLogP10.22
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.74
LogP ≤ 510.22
H-Bond Donors ≤ 50
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'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
N'-benzyl-3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-b]carbazol-5-yl]-N-[methylamino(phenyl)methylidene]benzenecarboximidamide
CID 163609589
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
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'-benzyl-N-methylidenebenzenecarboximidamide;N-[[3-[9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]phenyl]methyl]methanimine
CID 145358373
N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
CID 145268808
N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
CID 170136276
N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide
CID 145105527
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide
CID 166988287
N'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142519466

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide?
The IUPAC name of N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide (CID 154664219) is N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide?
The canonical SMILES for N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide is C/C(=N\C(=N\Cc1ccccc1)c1ccc(-c2ccccc2)c(C)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide?
The InChIKey is DAQVEYXUYCZEDE-DEZLXGEUSA-N. The full InChI is InChI=1S/C41H33N3/c1-29-26-34(24-25-36(29)32-16-7-4-8-17-32)41(42-28-31-14-5-3-6-15-31)43-30(2)33-18-13-19-35(27-33)44-39-22-11-9-20-37(39)38-21-10-12-23-40(38)44/h3-27H,28H2,1-2H3/b42-41+,43-30+.
What are the key properties of N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide?
N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide has a molecular weight of 567.74 g/mol, XLogP of 10.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide is sourced from PubChem (CID 154664219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).