4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene

C26H22 — CID 23270393

IUPAC4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene
SMILESCC1=CC2C(c3ccccc3)=C(c3ccccc3)C2(C)c2ccccc21
InChIInChI=1S/C26H22/c1-18-17-23-24(19-11-5-3-6-12-19)25(20-13-7-4-8-14-20)26(23,2)22-16-10-9-15-21(18)22/h3-17,23H,1-2H3
InChIKeyPNIZQRIFLYCXAS-UHFFFAOYSA-N
MW334.46 g/mol
LogP6.60
Rot. Bonds2

About 4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene

4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene (PubChem CID 23270393) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene.

Molecular Properties

Compound Name4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene
PubChem CID23270393
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene
SMILESCC1=CC2C(c3ccccc3)=C(c3ccccc3)C2(C)c2ccccc21
InChIInChI=1S/C26H22/c1-18-17-23-24(19-11-5-3-6-12-19)25(20-13-7-4-8-14-20)26(23,2)22-16-10-9-15-21(18)22/h3-17,23H,1-2H3
InChIKeyPNIZQRIFLYCXAS-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 102347889
1-isocyano-1,4-dimethyl-2H-naphthalene-2-carbonitrile
CID 161168076
3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
CID 135024717
3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one
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CID 134927955
(15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane
CID 100929052
4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide
CID 164529221
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene
CID 12704594
2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821194
1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione
CID 132558118

Frequently Asked Questions

What is the IUPAC name of 4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene?
The IUPAC name of 4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene (CID 23270393) is 4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene.
What is the SMILES notation for 4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene?
The canonical SMILES for 4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene is CC1=CC2C(c3ccccc3)=C(c3ccccc3)C2(C)c2ccccc21.
What is the InChIKey of 4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene?
The InChIKey is PNIZQRIFLYCXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-18-17-23-24(19-11-5-3-6-12-19)25(20-13-7-4-8-14-20)26(23,2)22-16-10-9-15-21(18)22/h3-17,23H,1-2H3.
What are the key properties of 4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene?
4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene has a molecular weight of 334.46 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene is sourced from PubChem (CID 23270393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).