1,1'-biphenyl;cycloheptane

C19H24 — CID 174877368

IUPAC1,1'-biphenyl;cycloheptane
SMILESC1CCCCCC1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-7-5-3-1/h1-10H;1-7H2
InChIKeyNVPSDVIDSBUBDC-UHFFFAOYSA-N
MW252.40 g/mol
LogP6.08
Rot. Bonds1

About 1,1'-biphenyl;cycloheptane

1,1'-biphenyl;cycloheptane (PubChem CID 174877368) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,1'-biphenyl;cycloheptane.

Molecular Properties

Compound Name1,1'-biphenyl;cycloheptane
PubChem CID174877368
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1,1'-biphenyl;cycloheptane
SMILESC1CCCCCC1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-7-5-3-1/h1-10H;1-7H2
InChIKeyNVPSDVIDSBUBDC-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;cycloheptane?
The IUPAC name of 1,1'-biphenyl;cycloheptane (CID 174877368) is 1,1'-biphenyl;cycloheptane.
What is the SMILES notation for 1,1'-biphenyl;cycloheptane?
The canonical SMILES for 1,1'-biphenyl;cycloheptane is C1CCCCCC1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;cycloheptane?
The InChIKey is NVPSDVIDSBUBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C7H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-7-5-3-1/h1-10H;1-7H2.
What are the key properties of 1,1'-biphenyl;cycloheptane?
1,1'-biphenyl;cycloheptane has a molecular weight of 252.40 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;cycloheptane is sourced from PubChem (CID 174877368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).