6-methoxy-1,2,3,4-tetraphenylnaphthalene

C35H26O — CID 3489756

IUPAC6-methoxy-1,2,3,4-tetraphenylnaphthalene
SMILESCOc1ccc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C35H26O/c1-36-29-22-23-30-31(24-29)33(26-16-8-3-9-17-26)35(28-20-12-5-13-21-28)34(27-18-10-4-11-19-27)32(30)25-14-6-2-7-15-25/h2-24H,1H3
InChIKeyPPTUZRQFYVZUQF-UHFFFAOYSA-N
MW462.59 g/mol
LogP9.52
Rot. Bonds5

About 6-methoxy-1,2,3,4-tetraphenylnaphthalene

6-methoxy-1,2,3,4-tetraphenylnaphthalene (PubChem CID 3489756) has the molecular formula C35H26O and a molecular weight of 462.59 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetraphenylnaphthalene.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetraphenylnaphthalene
PubChem CID3489756
Molecular FormulaC35H26O
Molecular Weight462.59 g/mol
Exact Mass462.20
IUPAC Name6-methoxy-1,2,3,4-tetraphenylnaphthalene
SMILESCOc1ccc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C35H26O/c1-36-29-22-23-30-31(24-29)33(26-16-8-3-9-17-26)35(28-20-12-5-13-21-28)34(27-18-10-4-11-19-27)32(30)25-14-6-2-7-15-25/h2-24H,1H3
InChIKeyPPTUZRQFYVZUQF-UHFFFAOYSA-N
XLogP9.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4-tetraphenylnaphthalene?
The IUPAC name of 6-methoxy-1,2,3,4-tetraphenylnaphthalene (CID 3489756) is 6-methoxy-1,2,3,4-tetraphenylnaphthalene.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetraphenylnaphthalene?
The canonical SMILES for 6-methoxy-1,2,3,4-tetraphenylnaphthalene is COc1ccc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-1,2,3,4-tetraphenylnaphthalene?
The InChIKey is PPTUZRQFYVZUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26O/c1-36-29-22-23-30-31(24-29)33(26-16-8-3-9-17-26)35(28-20-12-5-13-21-28)34(27-18-10-4-11-19-27)32(30)25-14-6-2-7-15-25/h2-24H,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetraphenylnaphthalene?
6-methoxy-1,2,3,4-tetraphenylnaphthalene has a molecular weight of 462.59 g/mol, XLogP of 9.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetraphenylnaphthalene is sourced from PubChem (CID 3489756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).