1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene

C31H42 — CID 145276340

IUPAC1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene
SMILESC=C/C=C\C=C/C.C=C/C=C\C=C/C=C.CC.CC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H10.C7H10.2C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;2*1-2/h1-10H;3-8H,1-2H2;3-7H,1H2,2H3;2*1-2H3/b;7-5-,8-6-;6-4-,7-5-;;
InChIKeyBNFOQQMUKZATGG-OFCGSONUSA-N
MW414.68 g/mol
LogP10.18
Rot. Bonds6

About 1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene

1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene (PubChem CID 145276340) has the molecular formula C31H42 and a molecular weight of 414.68 g/mol. Its IUPAC name is 1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene.

Molecular Properties

Compound Name1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene
PubChem CID145276340
Molecular FormulaC31H42
Molecular Weight414.68 g/mol
Exact Mass414.33
IUPAC Name1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene
SMILESC=C/C=C\C=C/C.C=C/C=C\C=C/C=C.CC.CC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H10.C7H10.2C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;2*1-2/h1-10H;3-8H,1-2H2;3-7H,1H2,2H3;2*1-2H3/b;7-5-,8-6-;6-4-,7-5-;;
InChIKeyBNFOQQMUKZATGG-OFCGSONUSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene?
The IUPAC name of 1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene (CID 145276340) is 1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene.
What is the SMILES notation for 1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene?
The canonical SMILES for 1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene is C=C/C=C\C=C/C.C=C/C=C\C=C/C=C.CC.CC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene?
The InChIKey is BNFOQQMUKZATGG-OFCGSONUSA-N. The full InChI is InChI=1S/C12H10.C8H10.C7H10.2C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;2*1-2/h1-10H;3-8H,1-2H2;3-7H,1H2,2H3;2*1-2H3/b;7-5-,8-6-;6-4-,7-5-;;.
What are the key properties of 1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene?
1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene has a molecular weight of 414.68 g/mol, XLogP of 10.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene is sourced from PubChem (CID 145276340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).