5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one

C34H28O — CID 10837354

IUPAC5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CCCC2C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C12
InChIInChI=1S/C34H28O/c35-29-23-13-22-28-30(24-14-5-1-6-15-24)31(25-16-7-2-8-17-25)32(26-18-9-3-10-19-26)33(34(28)29)27-20-11-4-12-21-27/h1-12,14-21,28,34H,13,22-23H2
InChIKeyZUODHFZJRHLFGB-UHFFFAOYSA-N
MW452.60 g/mol
LogP8.21
Rot. Bonds4

About 5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one

5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one (PubChem CID 10837354) has the molecular formula C34H28O and a molecular weight of 452.60 g/mol. Its IUPAC name is 5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one
PubChem CID10837354
Molecular FormulaC34H28O
Molecular Weight452.60 g/mol
Exact Mass452.21
IUPAC Name5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CCCC2C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C12
InChIInChI=1S/C34H28O/c35-29-23-13-22-28-30(24-14-5-1-6-15-24)31(25-16-7-2-8-17-25)32(26-18-9-3-10-19-26)33(34(28)29)27-20-11-4-12-21-27/h1-12,14-21,28,34H,13,22-23H2
InChIKeyZUODHFZJRHLFGB-UHFFFAOYSA-N
XLogP8.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one (CID 10837354) is 5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one is O=C1CCCC2C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C12.
What is the InChIKey of 5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one?
The InChIKey is ZUODHFZJRHLFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O/c35-29-23-13-22-28-30(24-14-5-1-6-15-24)31(25-16-7-2-8-17-25)32(26-18-9-3-10-19-26)33(34(28)29)27-20-11-4-12-21-27/h1-12,14-21,28,34H,13,22-23H2.
What are the key properties of 5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one?
5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one has a molecular weight of 452.60 g/mol, XLogP of 8.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetraphenyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 10837354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).