1-anthracen-9-yl-3-phenylurea

C21H16N2O — CID 102213486

IUPAC1-anthracen-9-yl-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H16N2O/c24-21(22-17-10-2-1-3-11-17)23-20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h1-14H,(H2,22,23,24)
InChIKeyWRTCJNYODVPQFS-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.64
Rot. Bonds2

About 1-anthracen-9-yl-3-phenylurea

1-anthracen-9-yl-3-phenylurea (PubChem CID 102213486) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-anthracen-9-yl-3-phenylurea.

Molecular Properties

Compound Name1-anthracen-9-yl-3-phenylurea
PubChem CID102213486
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-anthracen-9-yl-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H16N2O/c24-21(22-17-10-2-1-3-11-17)23-20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h1-14H,(H2,22,23,24)
InChIKeyWRTCJNYODVPQFS-UHFFFAOYSA-N
XLogP5.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea
CID 166984072
1-[4-(acridin-9-ylamino)phenyl]-3-phenylurea;hydron;chloride
CID 50987018
4-(anthracen-9-ylmethylcarbamoylamino)benzoic acid
CID 129118450
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
1-(3,5-dibromophenyl)-3-phenylurea
CID 25129837
1-phenyl-3-[3-(phenylcarbamoylamino)phenazin-2-yl]urea
CID 102390231
1-(4-methoxyquinolin-2-yl)-3-phenylurea
CID 134098367
1-(2,4-dibromo-6-methylphenyl)-3-phenylurea
CID 4558595
1-(2-amino-4,6-difluorophenyl)-3-phenylurea
CID 81311026
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
1-methyl-3-phenylurea;propane
CID 142949663

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-3-phenylurea?
The IUPAC name of 1-anthracen-9-yl-3-phenylurea (CID 102213486) is 1-anthracen-9-yl-3-phenylurea.
What is the SMILES notation for 1-anthracen-9-yl-3-phenylurea?
The canonical SMILES for 1-anthracen-9-yl-3-phenylurea is O=C(Nc1ccccc1)Nc1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-yl-3-phenylurea?
The InChIKey is WRTCJNYODVPQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-21(22-17-10-2-1-3-11-17)23-20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h1-14H,(H2,22,23,24).
What are the key properties of 1-anthracen-9-yl-3-phenylurea?
1-anthracen-9-yl-3-phenylurea has a molecular weight of 312.37 g/mol, XLogP of 5.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-3-phenylurea is sourced from PubChem (CID 102213486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).