azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

C28H27N — CID 88641143

IUPACazane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
SMILESC(/C=C/c1ccccc1)=C\c1ccccc1.N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14.C12H10.H3N/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-14H;1-10H;1H3/b13-7+,14-8+;;
InChIKeyHYXVFJRFSSCXMJ-SOUIOMOHSA-N
MW377.53 g/mol
LogP7.93
Rot. Bonds4

About azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 88641143) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Nameazane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
PubChem CID88641143
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Nameazane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
SMILESC(/C=C/c1ccccc1)=C\c1ccccc1.N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14.C12H10.H3N/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-14H;1-10H;1H3/b13-7+,14-8+;;
InChIKeyHYXVFJRFSSCXMJ-SOUIOMOHSA-N
XLogP7.93
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene
CID 175734121
(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol
CID 11982546
[(1E,3Z)-4-bromobuta-1,3-dienyl]benzene
CID 11708291
4-(4-phenylbuta-1,3-dienyl)benzaldehyde
CID 71360938
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
N,N-diphenyl-4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline;N,N-diphenyl-4-[4-[2-(4-phenylphenyl)ethenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]buta-1,3-dienyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(2-phenylethenyl)phenyl]phenyl]aniline
CID 160612024
2-[(E)-2-phenylethenyl]azulene
CID 12674002
CID 23124540
CID 23124540

Frequently Asked Questions

What is the IUPAC name of azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (CID 88641143) is azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is C(/C=C/c1ccccc1)=C\c1ccccc1.N.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The InChIKey is HYXVFJRFSSCXMJ-SOUIOMOHSA-N. The full InChI is InChI=1S/C16H14.C12H10.H3N/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-14H;1-10H;1H3/b13-7+,14-8+;;.
What are the key properties of azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 377.53 g/mol, XLogP of 7.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 88641143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).