N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide

C27H21N3O — CID 10179306

IUPACN-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
SMILESN/C(=N\c1ccc(NC(=O)c2cccc3c2Cc2ccccc2-3)cc1)c1ccccc1
InChIInChI=1S/C27H21N3O/c28-26(18-7-2-1-3-8-18)29-20-13-15-21(16-14-20)30-27(31)24-12-6-11-23-22-10-5-4-9-19(22)17-25(23)24/h1-16H,17H2,(H2,28,29)(H,30,31)
InChIKeyBISDFHBSKYRFMP-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.55
Rot. Bonds4

About N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide

N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide (PubChem CID 10179306) has the molecular formula C27H21N3O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
PubChem CID10179306
Molecular FormulaC27H21N3O
Molecular Weight403.49 g/mol
Exact Mass403.17
IUPAC NameN-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
SMILESN/C(=N\c1ccc(NC(=O)c2cccc3c2Cc2ccccc2-3)cc1)c1ccccc1
InChIInChI=1S/C27H21N3O/c28-26(18-7-2-1-3-8-18)29-20-13-15-21(16-14-20)30-27(31)24-12-6-11-23-22-10-5-4-9-19(22)17-25(23)24/h1-16H,17H2,(H2,28,29)(H,30,31)
InChIKeyBISDFHBSKYRFMP-UHFFFAOYSA-N
XLogP5.55
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.55
H-Bond Donors ≤ 52
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-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
CID 139891873
N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide
CID 139891871
9H-fluorene-1-carboxamide
CID 18474131
N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride
CID 11784798
N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
CID 139891874
2-[2-[[4-(N'-hydroxycarbamimidoyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 59879871
5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid
CID 142866014
N-(4-methylphenyl)-9H-fluorene-4-carboxamide
CID 2802871
N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide
CID 140983294
1-(1-phenylethenyl)-9H-fluorene
CID 151698887
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
N-(4-bromobutyl)-9H-fluorene-1-carboxamide
CID 121318737

Frequently Asked Questions

What is the IUPAC name of N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide?
The IUPAC name of N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide (CID 10179306) is N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide.
What is the SMILES notation for N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide?
The canonical SMILES for N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide is N/C(=N\c1ccc(NC(=O)c2cccc3c2Cc2ccccc2-3)cc1)c1ccccc1.
What is the InChIKey of N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide?
The InChIKey is BISDFHBSKYRFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O/c28-26(18-7-2-1-3-8-18)29-20-13-15-21(16-14-20)30-27(31)24-12-6-11-23-22-10-5-4-9-19(22)17-25(23)24/h1-16H,17H2,(H2,28,29)(H,30,31).
What are the key properties of N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide?
N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide is sourced from PubChem (CID 10179306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).