6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene

C22H19OP — CID 145199135

IUPAC6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene
SMILESCP(=O)(C1=CC=Cc2ccccc2C1)c1cccc2ccccc12
InChIInChI=1S/C22H19OP/c1-24(23,22-15-7-12-18-9-4-5-14-21(18)22)20-13-6-11-17-8-2-3-10-19(17)16-20/h2-15H,16H2,1H3
InChIKeyWJEPUWTXDFSGGZ-UHFFFAOYSA-N
MW330.37 g/mol
LogP5.61
Rot. Bonds2

About 6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene

6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene (PubChem CID 145199135) has the molecular formula C22H19OP and a molecular weight of 330.37 g/mol. Its IUPAC name is 6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene.

Molecular Properties

Compound Name6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene
PubChem CID145199135
Molecular FormulaC22H19OP
Molecular Weight330.37 g/mol
Exact Mass330.12
IUPAC Name6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene
SMILESCP(=O)(C1=CC=Cc2ccccc2C1)c1cccc2ccccc12
InChIInChI=1S/C22H19OP/c1-24(23,22-15-7-12-18-9-4-5-14-21(18)22)20-13-6-11-17-8-2-3-10-19(17)16-20/h2-15H,16H2,1H3
InChIKeyWJEPUWTXDFSGGZ-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.37
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-ylphosphonic acid;dihydrochloride
CID 175207516
lithium dinaphthalen-1-ylphosphinate
CID 141248266
methane;6-propyl-5H-benzo[7]annulene
CID 143144118
1-diphenylphosphorylnaphthalene
CID 11023927
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
2-N,3-N-bis(dinaphthalen-1-ylphosphoryl)butane-2,3-diimine
CID 139920617
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
1-ethenylnaphthalene;1H-indene
CID 174801428
bis(2,2-dimethylpropane);naphthalene;1H-naphthalen-2-ylidenetungsten
CID 158455985
2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene
CID 20606068
1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene
CID 166692062
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene?
The IUPAC name of 6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene (CID 145199135) is 6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene.
What is the SMILES notation for 6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene?
The canonical SMILES for 6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene is CP(=O)(C1=CC=Cc2ccccc2C1)c1cccc2ccccc12.
What is the InChIKey of 6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene?
The InChIKey is WJEPUWTXDFSGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19OP/c1-24(23,22-15-7-12-18-9-4-5-14-21(18)22)20-13-6-11-17-8-2-3-10-19(17)16-20/h2-15H,16H2,1H3.
What are the key properties of 6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene?
6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene has a molecular weight of 330.37 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene is sourced from PubChem (CID 145199135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).