N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide

C26H20N4O — CID 139891858

IUPACN-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide
SMILESN/C(=N\c1cccc(NC(=O)c2cccc3c2[nH]c2ccccc23)c1)c1ccccc1
InChIInChI=1S/C26H20N4O/c27-25(17-8-2-1-3-9-17)28-18-10-6-11-19(16-18)29-26(31)22-14-7-13-21-20-12-4-5-15-23(20)30-24(21)22/h1-16,30H,(H2,27,28)(H,29,31)
InChIKeyLXRBVMFOKKCOPR-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.61
Rot. Bonds4

About N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide

N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide (PubChem CID 139891858) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide
PubChem CID139891858
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC NameN-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide
SMILESN/C(=N\c1cccc(NC(=O)c2cccc3c2[nH]c2ccccc23)c1)c1ccccc1
InChIInChI=1S/C26H20N4O/c27-25(17-8-2-1-3-9-17)28-18-10-6-11-19(16-18)29-26(31)22-14-7-13-21-20-12-4-5-15-23(20)30-24(21)22/h1-16,30H,(H2,27,28)(H,29,31)
InChIKeyLXRBVMFOKKCOPR-UHFFFAOYSA-N
XLogP5.61
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.61
H-Bond Donors ≤ 53
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-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
CID 139891874
N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide
CID 139891871
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
N-(9H-carbazol-1-yl)benzamide
CID 138533611
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
CID 139891873
2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
CID 140659533
8-acetyl-9H-carbazole-2-carboxamide
CID 118680711
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-methylbenzamide
CID 168604296
3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701230

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide (CID 139891858) is N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide is N/C(=N\c1cccc(NC(=O)c2cccc3c2[nH]c2ccccc23)c1)c1ccccc1.
What is the InChIKey of N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide?
The InChIKey is LXRBVMFOKKCOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c27-25(17-8-2-1-3-9-17)28-18-10-6-11-19(16-18)29-26(31)22-14-7-13-21-20-12-4-5-15-23(20)30-24(21)22/h1-16,30H,(H2,27,28)(H,29,31).
What are the key properties of N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide?
N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 5.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 139891858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).