1,1'-biphenyl;indigane

C12H13In — CID 174363765

IUPAC1,1'-biphenyl;indigane
SMILES[InH3].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.In.3H/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;;/h1-10H;;;;
InChIKeyYBFOICDCEIYTLB-UHFFFAOYSA-N
MW272.05 g/mol
LogP2.17
Rot. Bonds1

About 1,1'-biphenyl;indigane

1,1'-biphenyl;indigane (PubChem CID 174363765) has the molecular formula C12H13In and a molecular weight of 272.05 g/mol. Its IUPAC name is 1,1'-biphenyl;indigane.

Molecular Properties

Compound Name1,1'-biphenyl;indigane
PubChem CID174363765
Molecular FormulaC12H13In
Molecular Weight272.05 g/mol
Exact Mass272.01
IUPAC Name1,1'-biphenyl;indigane
SMILES[InH3].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.In.3H/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;;/h1-10H;;;;
InChIKeyYBFOICDCEIYTLB-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
bis(1,1'-biphenyl);sulfane
CID 22247507
CID 53446764
CID 53446764
1,1'-biphenyl;hydroiodide
CID 66586334
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
CID 162140615
CID 162140615
benzene;1,1'-biphenyl;ethane
CID 158550617
1,1'-biphenyl;molecular hydrogen
CID 173033571
beryllium;1,1'-biphenyl;hydride
CID 173156439

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;indigane?
The IUPAC name of 1,1'-biphenyl;indigane (CID 174363765) is 1,1'-biphenyl;indigane.
What is the SMILES notation for 1,1'-biphenyl;indigane?
The canonical SMILES for 1,1'-biphenyl;indigane is [InH3].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;indigane?
The InChIKey is YBFOICDCEIYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.In.3H/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;;/h1-10H;;;;.
What are the key properties of 1,1'-biphenyl;indigane?
1,1'-biphenyl;indigane has a molecular weight of 272.05 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;indigane is sourced from PubChem (CID 174363765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).