1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene

C23H23OP — CID 166692062

IUPAC1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene
SMILESC=C(C1=CCC=CC=C1/C=C\C)P(C)(=O)c1cccc2ccccc12
InChIInChI=1S/C23H23OP/c1-4-11-19-12-6-5-7-15-21(19)18(2)25(3,24)23-17-10-14-20-13-8-9-16-22(20)23/h4-6,8-17H,2,7H2,1,3H3/b11-4-
InChIKeyXETFYBYOECLADQ-WCIBSUBMSA-N
MW346.41 g/mol
LogP6.36
Rot. Bonds4

About 1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene

1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene (PubChem CID 166692062) has the molecular formula C23H23OP and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene.

Molecular Properties

Compound Name1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene
PubChem CID166692062
Molecular FormulaC23H23OP
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene
SMILESC=C(C1=CCC=CC=C1/C=C\C)P(C)(=O)c1cccc2ccccc12
InChIInChI=1S/C23H23OP/c1-4-11-19-12-6-5-7-15-21(19)18(2)25(3,24)23-17-10-14-20-13-8-9-16-22(20)23/h4-6,8-17H,2,7H2,1,3H3/b11-4-
InChIKeyXETFYBYOECLADQ-WCIBSUBMSA-N
XLogP6.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 56.36
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
ethane;(Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine
CID 144983882
2-N,3-N-bis(dinaphthalen-1-ylphosphoryl)butane-2,3-diimine
CID 139920617
6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene
CID 145199135
lithium dinaphthalen-1-ylphosphinate
CID 141248266
(4-methoxyphenyl)-naphthalen-1-ylphosphinic acid
CID 54108452
1-diphenylphosphorylnaphthalene
CID 11023927
cyclopenta-1,3-diene;phenanthrene
CID 159923928
1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium
CID 174870866
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
(1-methylnaphthalen-2-yl)phosphonic acid
CID 140517432
ethyl (3R)-3,5-dimethyl-4-[[4-[(7-methylcyclohepta-1,4,6-triene-1-carbonyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 142919211

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene?
The IUPAC name of 1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene (CID 166692062) is 1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene.
What is the SMILES notation for 1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene?
The canonical SMILES for 1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene is C=C(C1=CCC=CC=C1/C=C\C)P(C)(=O)c1cccc2ccccc12.
What is the InChIKey of 1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene?
The InChIKey is XETFYBYOECLADQ-WCIBSUBMSA-N. The full InChI is InChI=1S/C23H23OP/c1-4-11-19-12-6-5-7-15-21(19)18(2)25(3,24)23-17-10-14-20-13-8-9-16-22(20)23/h4-6,8-17H,2,7H2,1,3H3/b11-4-.
What are the key properties of 1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene?
1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene has a molecular weight of 346.41 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene is sourced from PubChem (CID 166692062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).