N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide

C51H37N5O — CID 145268808

IUPACN'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(-n2c3ccccc3c3c2ccc2c4ccc(-c5ccccc5)c(O)c4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C51H37N5O/c52-50(54-51(37-19-9-3-10-20-37)53-33-34-15-5-1-6-16-34)36-25-27-39(28-26-36)55-44-24-14-13-23-43(44)46-45(55)32-31-41-42-30-29-40(35-17-7-2-8-18-35)49(57)48(42)56(47(41)46)38-21-11-4-12-22-38/h1-32,57H,33H2,(H2,52,53,54)
InChIKeyAMWNILSEMCEBGX-UHFFFAOYSA-N
MW735.89 g/mol
LogP11.61
Rot. Bonds7

About N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide

N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide (PubChem CID 145268808) has the molecular formula C51H37N5O and a molecular weight of 735.89 g/mol. Its IUPAC name is N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
PubChem CID145268808
Molecular FormulaC51H37N5O
Molecular Weight735.89 g/mol
Exact Mass735.30
IUPAC NameN'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(-n2c3ccccc3c3c2ccc2c4ccc(-c5ccccc5)c(O)c4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C51H37N5O/c52-50(54-51(37-19-9-3-10-20-37)53-33-34-15-5-1-6-16-34)36-25-27-39(28-26-36)55-44-24-14-13-23-43(44)46-45(55)32-31-41-42-30-29-40(35-17-7-2-8-18-35)49(57)48(42)56(47(41)46)38-21-11-4-12-22-38/h1-32,57H,33H2,(H2,52,53,54)
InChIKeyAMWNILSEMCEBGX-UHFFFAOYSA-N
XLogP11.61
TPSA80.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 511.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
CID 155203954
N-[amino(phenyl)methylidene]-4-([1]benzofuro[2,3-a]carbazol-12-yl)-N'-benzylbenzenecarboximidamide
CID 156624021
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide
CID 166988287
N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 171052336
N'-[N-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 170135017
N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
CID 170137005
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
N-[amino(phenyl)methylidene]-N'-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-3-phenylbenzenecarboximidamide
CID 170135042
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
methanethiol;9-methyl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;N'-[N-(naphthalen-2-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-1-carboximidamide
CID 145403992
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235

Frequently Asked Questions

What is the IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide?
The IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide (CID 145268808) is N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide?
The canonical SMILES for N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide is N/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(-n2c3ccccc3c3c2ccc2c4ccc(-c5ccccc5)c(O)c4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide?
The InChIKey is AMWNILSEMCEBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5O/c52-50(54-51(37-19-9-3-10-20-37)53-33-34-15-5-1-6-16-34)36-25-27-39(28-26-36)55-44-24-14-13-23-43(44)46-45(55)32-31-41-42-30-29-40(35-17-7-2-8-18-35)49(57)48(42)56(47(41)46)38-21-11-4-12-22-38/h1-32,57H,33H2,(H2,52,53,54).
What are the key properties of N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide?
N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide has a molecular weight of 735.89 g/mol, XLogP of 11.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide is sourced from PubChem (CID 145268808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).