bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine

C29H38N2 — CID 161455476

IUPACbis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine
SMILESCC.CN.CNC.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.C2H7N.C2H6.CH5N/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;2*1-2/h2*1-10H;3H,1-2H3;1-2H3;2H2,1H3
InChIKeyWBCDXVPZGIIMKI-UHFFFAOYSA-N
MW414.64 g/mol
LogP7.14
Rot. Bonds2

About bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine

bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine (PubChem CID 161455476) has the molecular formula C29H38N2 and a molecular weight of 414.64 g/mol. Its IUPAC name is bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine.

Molecular Properties

Compound Namebis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine
PubChem CID161455476
Molecular FormulaC29H38N2
Molecular Weight414.64 g/mol
Exact Mass414.30
IUPAC Namebis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine
SMILESCC.CN.CNC.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.C2H7N.C2H6.CH5N/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;2*1-2/h2*1-10H;3H,1-2H3;1-2H3;2H2,1H3
InChIKeyWBCDXVPZGIIMKI-UHFFFAOYSA-N
XLogP7.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.64
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-diphenylbenzene;ethane;methanamine
CID 168951795
benzene;1,1'-biphenyl;ethane
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CID 161215689
1,1'-biphenyl;ethane;hydrobromide
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1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;tris(1,1'-biphenyl)
CID 162155747
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
ethane;1,3,5-triphenylbenzene
CID 142123051
1,1'-biphenyl;ethane;naphthalene
CID 160802649
CID 162140615
CID 162140615
1,1'-biphenyl;mercury
CID 67099988
1,1'-biphenyl;hydrofluoride
CID 67516975

Frequently Asked Questions

What is the IUPAC name of bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine?
The IUPAC name of bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine (CID 161455476) is bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine.
What is the SMILES notation for bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine?
The canonical SMILES for bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine is CC.CN.CNC.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine?
The InChIKey is WBCDXVPZGIIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10.C2H7N.C2H6.CH5N/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;2*1-2/h2*1-10H;3H,1-2H3;1-2H3;2H2,1H3.
What are the key properties of bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine?
bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine has a molecular weight of 414.64 g/mol, XLogP of 7.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine is sourced from PubChem (CID 161455476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).