1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea

C46H36BrN2OP — CID 164679034

IUPAC1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2ccccc2c1-c1c(P(Br)(Cc2ccccc2)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C46H36BrN2OP/c47-51(38-23-9-3-10-24-38,39-25-11-4-12-26-39,33-34-17-5-1-6-18-34)43-32-30-36-20-14-16-28-41(36)45(43)44-40-27-15-13-19-35(40)29-31-42(44)49-46(50)48-37-21-7-2-8-22-37/h1-32H,33H2,(H2,48,49,50)
InChIKeyIEOJAUUHJGGKCX-UHFFFAOYSA-N
MW743.69 g/mol
LogP11.64
Rot. Bonds8

About 1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea

1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea (PubChem CID 164679034) has the molecular formula C46H36BrN2OP and a molecular weight of 743.69 g/mol. Its IUPAC name is 1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea
PubChem CID164679034
Molecular FormulaC46H36BrN2OP
Molecular Weight743.69 g/mol
Exact Mass742.17
IUPAC Name1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2ccccc2c1-c1c(P(Br)(Cc2ccccc2)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C46H36BrN2OP/c47-51(38-23-9-3-10-24-38,39-25-11-4-12-26-39,33-34-17-5-1-6-18-34)43-32-30-36-20-14-16-28-41(36)45(43)44-40-27-15-13-19-35(40)29-31-42(44)49-46(50)48-37-21-7-2-8-22-37/h1-32H,33H2,(H2,48,49,50)
InChIKeyIEOJAUUHJGGKCX-UHFFFAOYSA-N
XLogP11.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.69
LogP ≤ 511.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-3-[1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-bromo-diphenyl-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]urea
CID 164678767
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide
CID 177433826
1-anthracen-9-yl-3-phenylurea
CID 102213486
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 58470814
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
N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea?
The IUPAC name of 1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea (CID 164679034) is 1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea?
The canonical SMILES for 1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc2ccccc2c1-c1c(P(Br)(Cc2ccccc2)(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea?
The InChIKey is IEOJAUUHJGGKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36BrN2OP/c47-51(38-23-9-3-10-24-38,39-25-11-4-12-26-39,33-34-17-5-1-6-18-34)43-32-30-36-20-14-16-28-41(36)45(43)44-40-27-15-13-19-35(40)29-31-42(44)49-46(50)48-37-21-7-2-8-22-37/h1-32H,33H2,(H2,48,49,50).
What are the key properties of 1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea?
1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea has a molecular weight of 743.69 g/mol, XLogP of 11.64, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(benzyl-bromo-diphenyl-λ5-phosphanyl)naphthalen-1-yl]naphthalen-2-yl]-3-phenylurea is sourced from PubChem (CID 164679034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).