1,1'-biphenyl;naphthalene;phenol

C34H30O2 — CID 159002551

IUPAC1,1'-biphenyl;naphthalene;phenol
SMILESOc1ccccc1.Oc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C12H10.C10H8.2C6H6O/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;2*7-6-4-2-1-3-5-6/h1-10H;1-8H;2*1-5,7H
InChIKeyJRMZAGOFCYOYNP-UHFFFAOYSA-N
MW470.61 g/mol
LogP8.98
Rot. Bonds1

About 1,1'-biphenyl;naphthalene;phenol

1,1'-biphenyl;naphthalene;phenol (PubChem CID 159002551) has the molecular formula C34H30O2 and a molecular weight of 470.61 g/mol. Its IUPAC name is 1,1'-biphenyl;naphthalene;phenol.

Molecular Properties

Compound Name1,1'-biphenyl;naphthalene;phenol
PubChem CID159002551
Molecular FormulaC34H30O2
Molecular Weight470.61 g/mol
Exact Mass470.22
IUPAC Name1,1'-biphenyl;naphthalene;phenol
SMILESOc1ccccc1.Oc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C12H10.C10H8.2C6H6O/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;2*7-6-4-2-1-3-5-6/h1-10H;1-8H;2*1-5,7H
InChIKeyJRMZAGOFCYOYNP-UHFFFAOYSA-N
XLogP8.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 58.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;1,1'-biphenyl;phenol
CID 159528072
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
anthracene;benzene;naphthalene;phenol
CID 174822165
CID 172725087
CID 172725087
bis(1,1'-biphenyl);ethane;phenol;propane
CID 159973913
1,1'-biphenyl;ethane;naphthalene
CID 160802649
phenol;bis(yttrium)
CID 59089942
phenol;tantalum
CID 19915613
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;naphthalene;phenol?
The IUPAC name of 1,1'-biphenyl;naphthalene;phenol (CID 159002551) is 1,1'-biphenyl;naphthalene;phenol.
What is the SMILES notation for 1,1'-biphenyl;naphthalene;phenol?
The canonical SMILES for 1,1'-biphenyl;naphthalene;phenol is Oc1ccccc1.Oc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.
What is the InChIKey of 1,1'-biphenyl;naphthalene;phenol?
The InChIKey is JRMZAGOFCYOYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H8.2C6H6O/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;2*7-6-4-2-1-3-5-6/h1-10H;1-8H;2*1-5,7H.
What are the key properties of 1,1'-biphenyl;naphthalene;phenol?
1,1'-biphenyl;naphthalene;phenol has a molecular weight of 470.61 g/mol, XLogP of 8.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;naphthalene;phenol is sourced from PubChem (CID 159002551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).