anisole;1,1'-biphenyl;naphthalene

C29H26O — CID 161250692

IUPACanisole;1,1'-biphenyl;naphthalene
SMILESCOc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C12H10.C10H8.C7H8O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-8-7-5-3-2-4-6-7/h1-10H;1-8H;2-6H,1H3
InChIKeyVBFPVKOLLPGQAC-UHFFFAOYSA-N
MW390.53 g/mol
LogP7.89
Rot. Bonds2

About anisole;1,1'-biphenyl;naphthalene

anisole;1,1'-biphenyl;naphthalene (PubChem CID 161250692) has the molecular formula C29H26O and a molecular weight of 390.53 g/mol. Its IUPAC name is anisole;1,1'-biphenyl;naphthalene.

Molecular Properties

Compound Nameanisole;1,1'-biphenyl;naphthalene
PubChem CID161250692
Molecular FormulaC29H26O
Molecular Weight390.53 g/mol
Exact Mass390.20
IUPAC Nameanisole;1,1'-biphenyl;naphthalene
SMILESCOc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C12H10.C10H8.C7H8O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-8-7-5-3-2-4-6-7/h1-10H;1-8H;2-6H,1H3
InChIKeyVBFPVKOLLPGQAC-UHFFFAOYSA-N
XLogP7.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of anisole;1,1'-biphenyl;naphthalene?
The IUPAC name of anisole;1,1'-biphenyl;naphthalene (CID 161250692) is anisole;1,1'-biphenyl;naphthalene.
What is the SMILES notation for anisole;1,1'-biphenyl;naphthalene?
The canonical SMILES for anisole;1,1'-biphenyl;naphthalene is COc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.
What is the InChIKey of anisole;1,1'-biphenyl;naphthalene?
The InChIKey is VBFPVKOLLPGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H8.C7H8O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-8-7-5-3-2-4-6-7/h1-10H;1-8H;2-6H,1H3.
What are the key properties of anisole;1,1'-biphenyl;naphthalene?
anisole;1,1'-biphenyl;naphthalene has a molecular weight of 390.53 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1,1'-biphenyl;naphthalene is sourced from PubChem (CID 161250692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).