1-(1,1-dinaphthalen-1-ylethyl)naphthalene

C32H24 — CID 91541516

IUPAC1-(1,1-dinaphthalen-1-ylethyl)naphthalene
SMILESCC(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C32H24/c1-32(29-20-8-14-23-11-2-5-17-26(23)29,30-21-9-15-24-12-3-6-18-27(24)30)31-22-10-16-25-13-4-7-19-28(25)31/h2-22H,1H3
InChIKeyBBOOAEADSAQKTI-UHFFFAOYSA-N
MW408.54 g/mol
LogP8.50
Rot. Bonds3

About 1-(1,1-dinaphthalen-1-ylethyl)naphthalene

1-(1,1-dinaphthalen-1-ylethyl)naphthalene (PubChem CID 91541516) has the molecular formula C32H24 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-(1,1-dinaphthalen-1-ylethyl)naphthalene.

Molecular Properties

Compound Name1-(1,1-dinaphthalen-1-ylethyl)naphthalene
PubChem CID91541516
Molecular FormulaC32H24
Molecular Weight408.54 g/mol
Exact Mass408.19
IUPAC Name1-(1,1-dinaphthalen-1-ylethyl)naphthalene
SMILESCC(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C32H24/c1-32(29-20-8-14-23-11-2-5-17-26(23)29,30-21-9-15-24-12-3-6-18-27(24)30)31-22-10-16-25-13-4-7-19-28(25)31/h2-22H,1H3
InChIKeyBBOOAEADSAQKTI-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
CID 57258999
1-(trichloromethyl)naphthalene
CID 12791328
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
CID 174418376
1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
CID 63898473
4-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]-2-methylphenol
CID 118264402
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
(2S)-2-amino-2-naphthalen-1-ylpropanal
CID 87513009
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
CID 118544454
2-naphthalen-1-ylpropane-2-sulfonic acid
CID 88732761

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dinaphthalen-1-ylethyl)naphthalene?
The IUPAC name of 1-(1,1-dinaphthalen-1-ylethyl)naphthalene (CID 91541516) is 1-(1,1-dinaphthalen-1-ylethyl)naphthalene.
What is the SMILES notation for 1-(1,1-dinaphthalen-1-ylethyl)naphthalene?
The canonical SMILES for 1-(1,1-dinaphthalen-1-ylethyl)naphthalene is CC(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-(1,1-dinaphthalen-1-ylethyl)naphthalene?
The InChIKey is BBOOAEADSAQKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24/c1-32(29-20-8-14-23-11-2-5-17-26(23)29,30-21-9-15-24-12-3-6-18-27(24)30)31-22-10-16-25-13-4-7-19-28(25)31/h2-22H,1H3.
What are the key properties of 1-(1,1-dinaphthalen-1-ylethyl)naphthalene?
1-(1,1-dinaphthalen-1-ylethyl)naphthalene has a molecular weight of 408.54 g/mol, XLogP of 8.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dinaphthalen-1-ylethyl)naphthalene is sourced from PubChem (CID 91541516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).