5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene

C27H24O2 — CID 175339751

IUPAC5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene
SMILESCOc1ccc2c(c1OC)C=C1CC(c3ccccc3)(c3ccccc3)C=C1C2
InChIInChI=1S/C27H24O2/c1-28-25-14-13-19-15-20-17-27(22-9-5-3-6-10-22,23-11-7-4-8-12-23)18-21(20)16-24(19)26(25)29-2/h3-14,16-17H,15,18H2,1-2H3
InChIKeySFHWZNMILLDBKH-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.96
Rot. Bonds4

About 5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene

5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene (PubChem CID 175339751) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene.

Molecular Properties

Compound Name5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene
PubChem CID175339751
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene
SMILESCOc1ccc2c(c1OC)C=C1CC(c3ccccc3)(c3ccccc3)C=C1C2
InChIInChI=1S/C27H24O2/c1-28-25-14-13-19-15-20-17-27(22-9-5-3-6-10-22,23-11-7-4-8-12-23)18-21(20)16-24(19)26(25)29-2/h3-14,16-17H,15,18H2,1-2H3
InChIKeySFHWZNMILLDBKH-UHFFFAOYSA-N
XLogP5.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene?
The IUPAC name of 5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene (CID 175339751) is 5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene.
What is the SMILES notation for 5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene?
The canonical SMILES for 5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene is COc1ccc2c(c1OC)C=C1CC(c3ccccc3)(c3ccccc3)C=C1C2.
What is the InChIKey of 5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene?
The InChIKey is SFHWZNMILLDBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2/c1-28-25-14-13-19-15-20-17-27(22-9-5-3-6-10-22,23-11-7-4-8-12-23)18-21(20)16-24(19)26(25)29-2/h3-14,16-17H,15,18H2,1-2H3.
What are the key properties of 5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene?
5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene has a molecular weight of 380.49 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene is sourced from PubChem (CID 175339751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).