1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane

C27H31N — CID 145203844

IUPAC1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane
SMILESCC.CN(C1=CC=CCC1)c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H15N.C12H10.C2H6/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2/h2-6,8-10H,7,11H2,1H3;1-10H;1-2H3
InChIKeyZNKXQDGQMYISLP-UHFFFAOYSA-N
MW369.55 g/mol
LogP7.74
Rot. Bonds3

About 1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane

1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane (PubChem CID 145203844) has the molecular formula C27H31N and a molecular weight of 369.55 g/mol. Its IUPAC name is 1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane.

Molecular Properties

Compound Name1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane
PubChem CID145203844
Molecular FormulaC27H31N
Molecular Weight369.55 g/mol
Exact Mass369.25
IUPAC Name1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane
SMILESCC.CN(C1=CC=CCC1)c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H15N.C12H10.C2H6/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2/h2-6,8-10H,7,11H2,1H3;1-10H;1-2H3
InChIKeyZNKXQDGQMYISLP-UHFFFAOYSA-N
XLogP7.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-N-methylaniline
CID 90128279
(4-tert-butylcyclohexa-1,3-dien-1-yl)benzene;4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane
CID 145203858
cyclohexa-1,3-diene;N-methyl-N-phenylaniline
CID 163291837
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane?
The IUPAC name of 1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane (CID 145203844) is 1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane.
What is the SMILES notation for 1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane?
The canonical SMILES for 1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane is CC.CN(C1=CC=CCC1)c1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane?
The InChIKey is ZNKXQDGQMYISLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H10.C2H6/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2/h2-6,8-10H,7,11H2,1H3;1-10H;1-2H3.
What are the key properties of 1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane?
1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane has a molecular weight of 369.55 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane is sourced from PubChem (CID 145203844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).