7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane

C28H24O — CID 172635866

IUPAC7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane
SMILESc1ccc(C2(c3ccccc3)CC3(COC3)C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H24O/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)18-27(19-29-20-27)26(28)23-16-15-21-9-7-8-10-22(21)17-23/h1-17,26H,18-20H2
InChIKeyDBSPQMKRJCUQCJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.33
Rot. Bonds3

About 7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane

7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane (PubChem CID 172635866) has the molecular formula C28H24O and a molecular weight of 376.50 g/mol. Its IUPAC name is 7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane.

Molecular Properties

Compound Name7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane
PubChem CID172635866
Molecular FormulaC28H24O
Molecular Weight376.50 g/mol
Exact Mass376.18
IUPAC Name7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane
SMILESc1ccc(C2(c3ccccc3)CC3(COC3)C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H24O/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)18-27(19-29-20-27)26(28)23-16-15-21-9-7-8-10-22(21)17-23/h1-17,26H,18-20H2
InChIKeyDBSPQMKRJCUQCJ-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-naphthalen-2-yloxirane
CID 10877557
(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
CID 11321352
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
CID 132563382
(2R,3R)-3-naphthalen-2-yloxirane-2-carbonitrile
CID 130405485
2-[(1R)-2-methylidene-1-phenylcyclopropyl]naphthalene
CID 102141130
3-naphthalen-2-ylazetidine
CID 116962282
(2R)-2-anthracen-2-yloxirane
CID 129361736
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
(2S,3S)-2,3-dinaphthalen-2-ylpiperazine
CID 11175156
methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate
CID 176901929

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane?
The IUPAC name of 7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane (CID 172635866) is 7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane.
What is the SMILES notation for 7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane?
The canonical SMILES for 7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane is c1ccc(C2(c3ccccc3)CC3(COC3)C2c2ccc3ccccc3c2)cc1.
What is the InChIKey of 7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane?
The InChIKey is DBSPQMKRJCUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)18-27(19-29-20-27)26(28)23-16-15-21-9-7-8-10-22(21)17-23/h1-17,26H,18-20H2.
What are the key properties of 7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane?
7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane has a molecular weight of 376.50 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-6,6-diphenyl-2-oxaspiro[3.3]heptane is sourced from PubChem (CID 172635866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).