lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene

C24H15Li — CID 11461052

IUPAClithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene
SMILES[Li+].[c-]1ccc(C(=C2c3cc4ccccc4cc32)c2ccccc2)cc1
InChIInChI=1S/C24H15.Li/c1-3-9-17(10-4-1)23(18-11-5-2-6-12-18)24-21-15-19-13-7-8-14-20(19)16-22(21)24;/h1,3-16H;/q-1;+1
InChIKeyMNSDHQUHLSCZKI-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.96
Rot. Bonds2

About lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene

lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene (PubChem CID 11461052) has the molecular formula C24H15Li and a molecular weight of 310.33 g/mol. Its IUPAC name is lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene.

Molecular Properties

Compound Namelithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene
PubChem CID11461052
Molecular FormulaC24H15Li
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Namelithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene
SMILES[Li+].[c-]1ccc(C(=C2c3cc4ccccc4cc32)c2ccccc2)cc1
InChIInChI=1S/C24H15.Li/c1-3-9-17(10-4-1)23(18-11-5-2-6-12-18)24-21-15-19-13-7-8-14-20(19)16-22(21)24;/h1,3-16H;/q-1;+1
InChIKeyMNSDHQUHLSCZKI-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[cyclopropa[b]naphthalen-1-ylidene(phenyl)methyl]phenol
CID 11427189
11-[bis(4-methoxyphenyl)methylidene]benzo[b]fluorene
CID 53474059
9-benzhydrylidene-2-methylfluorene
CID 631309
9-benzhydrylidene-2-ethynylfluorene
CID 101435215
12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium)
CID 171469451
lithium anthracene
CID 22662646
anthracene;diphenylmethanone
CID 87408663
anthracene;benzene;naphthalene
CID 142706236
[2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone
CID 174765161
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
ethane;pentacene-6,13-dione
CID 91293848
benzene;benzene;ethane;naphthalene;yttrium
CID 158762188

Frequently Asked Questions

What is the IUPAC name of lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene?
The IUPAC name of lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene (CID 11461052) is lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene.
What is the SMILES notation for lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene?
The canonical SMILES for lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene is [Li+].[c-]1ccc(C(=C2c3cc4ccccc4cc32)c2ccccc2)cc1.
What is the InChIKey of lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene?
The InChIKey is MNSDHQUHLSCZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15.Li/c1-3-9-17(10-4-1)23(18-11-5-2-6-12-18)24-21-15-19-13-7-8-14-20(19)16-22(21)24;/h1,3-16H;/q-1;+1.
What are the key properties of lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene?
lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene has a molecular weight of 310.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[phenyl(phenyl)methylidene]cyclopropa[b]naphthalene is sourced from PubChem (CID 11461052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).