benzene;1,1'-biphenyl;ethenamine

C20H21N — CID 174584589

IUPACbenzene;1,1'-biphenyl;ethenamine
SMILESC=CN.c1ccc(-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C12H10.C6H6.C2H5N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;1-2-3/h1-10H;1-6H;2H,1,3H2
InChIKeyBXHHWWIPPHGUMZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.13
Rot. Bonds1

About benzene;1,1'-biphenyl;ethenamine

benzene;1,1'-biphenyl;ethenamine (PubChem CID 174584589) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;ethenamine.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;ethenamine
PubChem CID174584589
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Namebenzene;1,1'-biphenyl;ethenamine
SMILESC=CN.c1ccc(-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C12H10.C6H6.C2H5N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;1-2-3/h1-10H;1-6H;2H,1,3H2
InChIKeyBXHHWWIPPHGUMZ-UHFFFAOYSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
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
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;hydroiodide
CID 66586334
1,1'-biphenyl;indigane
CID 174363765
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
CID 162140615
CID 162140615
beryllium;1,1'-biphenyl;hydride
CID 173156439

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;ethenamine?
The IUPAC name of benzene;1,1'-biphenyl;ethenamine (CID 174584589) is benzene;1,1'-biphenyl;ethenamine.
What is the SMILES notation for benzene;1,1'-biphenyl;ethenamine?
The canonical SMILES for benzene;1,1'-biphenyl;ethenamine is C=CN.c1ccc(-c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;1,1'-biphenyl;ethenamine?
The InChIKey is BXHHWWIPPHGUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H6.C2H5N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;1-2-3/h1-10H;1-6H;2H,1,3H2.
What are the key properties of benzene;1,1'-biphenyl;ethenamine?
benzene;1,1'-biphenyl;ethenamine has a molecular weight of 275.40 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1'-biphenyl;ethenamine is sourced from PubChem (CID 174584589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).