1-naphthalen-1-yl-3-tritylurea

C30H24N2O — CID 4029941

IUPAC1-naphthalen-1-yl-3-tritylurea
SMILESO=C(Nc1cccc2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O/c33-29(31-28-22-12-14-23-13-10-11-21-27(23)28)32-30(24-15-4-1-5-16-24,25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-22H,(H2,31,32,33)
InChIKeyQABJVSLIGRSXGH-UHFFFAOYSA-N
MW428.54 g/mol
LogP6.95
Rot. Bonds5

About 1-naphthalen-1-yl-3-tritylurea

1-naphthalen-1-yl-3-tritylurea (PubChem CID 4029941) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-tritylurea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-tritylurea
PubChem CID4029941
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name1-naphthalen-1-yl-3-tritylurea
SMILESO=C(Nc1cccc2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O/c33-29(31-28-22-12-14-23-13-10-11-21-27(23)28)32-30(24-15-4-1-5-16-24,25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-22H,(H2,31,32,33)
InChIKeyQABJVSLIGRSXGH-UHFFFAOYSA-N
XLogP6.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966
1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea
CID 134347050

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-tritylurea?
The IUPAC name of 1-naphthalen-1-yl-3-tritylurea (CID 4029941) is 1-naphthalen-1-yl-3-tritylurea.
What is the SMILES notation for 1-naphthalen-1-yl-3-tritylurea?
The canonical SMILES for 1-naphthalen-1-yl-3-tritylurea is O=C(Nc1cccc2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-naphthalen-1-yl-3-tritylurea?
The InChIKey is QABJVSLIGRSXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O/c33-29(31-28-22-12-14-23-13-10-11-21-27(23)28)32-30(24-15-4-1-5-16-24,25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-22H,(H2,31,32,33).
What are the key properties of 1-naphthalen-1-yl-3-tritylurea?
1-naphthalen-1-yl-3-tritylurea has a molecular weight of 428.54 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-tritylurea is sourced from PubChem (CID 4029941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).