1,1'-biphenyl;9H-fluorene;phenol

C37H32O2 — CID 161306435

IUPAC1,1'-biphenyl;9H-fluorene;phenol
SMILESOc1ccccc1.Oc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C12H10.2C6H6O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6/h1-8H,9H2;1-10H;2*1-5,7H
InChIKeyVIHPOQQAGGTORA-UHFFFAOYSA-N
MW508.66 g/mol
LogP9.40
Rot. Bonds1

About 1,1'-biphenyl;9H-fluorene;phenol

1,1'-biphenyl;9H-fluorene;phenol (PubChem CID 161306435) has the molecular formula C37H32O2 and a molecular weight of 508.66 g/mol. Its IUPAC name is 1,1'-biphenyl;9H-fluorene;phenol.

Molecular Properties

Compound Name1,1'-biphenyl;9H-fluorene;phenol
PubChem CID161306435
Molecular FormulaC37H32O2
Molecular Weight508.66 g/mol
Exact Mass508.24
IUPAC Name1,1'-biphenyl;9H-fluorene;phenol
SMILESOc1ccccc1.Oc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C12H10.2C6H6O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6/h1-8H,9H2;1-10H;2*1-5,7H
InChIKeyVIHPOQQAGGTORA-UHFFFAOYSA-N
XLogP9.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 59.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
benzene;1,1'-biphenyl;phenol
CID 159528072
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
9H-fluorene;sulfane;hydrate
CID 159057499
azane;9H-fluorene;hydrobromide
CID 174352852
ethene;9H-fluorene
CID 159544077
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
2-[1-(2-hydroxyphenyl)-9H-fluoren-2-yl]phenol;phenol
CID 22221785

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;9H-fluorene;phenol?
The IUPAC name of 1,1'-biphenyl;9H-fluorene;phenol (CID 161306435) is 1,1'-biphenyl;9H-fluorene;phenol.
What is the SMILES notation for 1,1'-biphenyl;9H-fluorene;phenol?
The canonical SMILES for 1,1'-biphenyl;9H-fluorene;phenol is Oc1ccccc1.Oc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1,1'-biphenyl;9H-fluorene;phenol?
The InChIKey is VIHPOQQAGGTORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C12H10.2C6H6O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6/h1-8H,9H2;1-10H;2*1-5,7H.
What are the key properties of 1,1'-biphenyl;9H-fluorene;phenol?
1,1'-biphenyl;9H-fluorene;phenol has a molecular weight of 508.66 g/mol, XLogP of 9.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;9H-fluorene;phenol is sourced from PubChem (CID 161306435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).