2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene

C27H24 — CID 101353270

IUPAC2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene
SMILESc1ccc2cc([C@@H]3[C@H]4CCC[C@H]4[C@@H]3c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C27H24/c1-3-8-20-16-22(14-12-18(20)6-1)26-24-10-5-11-25(24)27(26)23-15-13-19-7-2-4-9-21(19)17-23/h1-4,6-9,12-17,24-27H,5,10-11H2/t24-,25+,26+,27-
InChIKeyFVCLJNCITPSPPV-KNJLRNSFSA-N
MW348.49 g/mol
LogP7.29
Rot. Bonds2

About 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene

2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene (PubChem CID 101353270) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene.

Molecular Properties

Compound Name2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene
PubChem CID101353270
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene
SMILESc1ccc2cc([C@@H]3[C@H]4CCC[C@H]4[C@@H]3c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C27H24/c1-3-8-20-16-22(14-12-18(20)6-1)26-24-10-5-11-25(24)27(26)23-15-13-19-7-2-4-9-21(19)17-23/h1-4,6-9,12-17,24-27H,5,10-11H2/t24-,25+,26+,27-
InChIKeyFVCLJNCITPSPPV-KNJLRNSFSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene with MolForge

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Related Compounds

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2,6-dicyclopentylnaphthalene
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CID 63511452
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CID 11944764
[(2R,3R)-3-naphthalen-2-yl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 154451237

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene?
The IUPAC name of 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene (CID 101353270) is 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene.
What is the SMILES notation for 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene?
The canonical SMILES for 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene is c1ccc2cc([C@@H]3[C@H]4CCC[C@H]4[C@@H]3c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene?
The InChIKey is FVCLJNCITPSPPV-KNJLRNSFSA-N. The full InChI is InChI=1S/C27H24/c1-3-8-20-16-22(14-12-18(20)6-1)26-24-10-5-11-25(24)27(26)23-15-13-19-7-2-4-9-21(19)17-23/h1-4,6-9,12-17,24-27H,5,10-11H2/t24-,25+,26+,27-.
What are the key properties of 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene?
2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene has a molecular weight of 348.49 g/mol, XLogP of 7.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R,6S,7R)-7-naphthalen-2-yl-6-bicyclo[3.2.0]heptanyl]naphthalene is sourced from PubChem (CID 101353270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).