N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide

C48H33N5 — CID 142318992

IUPACN'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(\N)c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C48H33N5/c49-47(32-15-2-1-3-16-32)51-48(50)39-28-29-44(52-40-22-10-6-18-35(40)36-19-7-11-23-41(36)52)46(45(39)34-27-26-31-14-4-5-17-33(31)30-34)53-42-24-12-8-20-37(42)38-21-9-13-25-43(38)53/h1-30H,(H3,49,50,51)
InChIKeyQSYSOTQVHUTLJX-UHFFFAOYSA-N
MW679.83 g/mol
LogP11.43
Rot. Bonds5

About N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide

N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide (PubChem CID 142318992) has the molecular formula C48H33N5 and a molecular weight of 679.83 g/mol. Its IUPAC name is N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide
PubChem CID142318992
Molecular FormulaC48H33N5
Molecular Weight679.83 g/mol
Exact Mass679.27
IUPAC NameN'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(\N)c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C48H33N5/c49-47(32-15-2-1-3-16-32)51-48(50)39-28-29-44(52-40-22-10-6-18-35(40)36-19-7-11-23-41(36)52)46(45(39)34-27-26-31-14-4-5-17-33(31)30-34)53-42-24-12-8-20-37(42)38-21-9-13-25-43(38)53/h1-30H,(H3,49,50,51)
InChIKeyQSYSOTQVHUTLJX-UHFFFAOYSA-N
XLogP11.43
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.83
LogP ≤ 511.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide
CID 142318896
N'-(benzenecarboximidoyl)-2-carbazol-9-ylbenzenecarboximidamide
CID 142318949
N-[amino(phenyl)methylidene]-1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)naphthalene-2-carboximidamide
CID 166656564
N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide
CID 145299410
N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide
CID 135245314
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
N'-(benzenecarboximidoyl)-3-[5-[9-(4-phenylphenyl)carbazol-2-yl]triphenylen-2-yl]benzenecarboximidamide
CID 145452787
N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145313054
N-[amino-[4-(3-cyanophenyl)phenyl]methylidene]-4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
CID 170133419
N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide
CID 170131493
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643232
9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
CID 166917834

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide?
The IUPAC name of N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide (CID 142318992) is N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide.
What is the SMILES notation for N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide?
The canonical SMILES for N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide is [H]/N=C(/N=C(\N)c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide?
The InChIKey is QSYSOTQVHUTLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5/c49-47(32-15-2-1-3-16-32)51-48(50)39-28-29-44(52-40-22-10-6-18-35(40)36-19-7-11-23-41(36)52)46(45(39)34-27-26-31-14-4-5-17-33(31)30-34)53-42-24-12-8-20-37(42)38-21-9-13-25-43(38)53/h1-30H,(H3,49,50,51).
What are the key properties of N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide?
N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide has a molecular weight of 679.83 g/mol, XLogP of 11.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-naphthalen-2-ylbenzenecarboximidamide is sourced from PubChem (CID 142318992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).