ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene

C32H38 — CID 143808734

IUPACethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene
SMILESC=C/C=C\C(=C/C)c1c2ccccc2c(/C(C=C)=C/C=C\C)c2ccccc12.CC.CC
InChIInChI=1S/C28H26.2C2H6/c1-5-9-15-21(7-3)27-23-17-11-13-19-25(23)28(22(8-4)16-10-6-2)26-20-14-12-18-24(26)27;2*1-2/h5-20H,1,4H2,2-3H3;2*1-2H3/b10-6-,15-9-,21-7+,22-16+;;
InChIKeyAPVLKVSWZNDHIE-VRFCVNPVSA-N
MW422.66 g/mol
LogP10.34
Rot. Bonds6

About ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene

ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene (PubChem CID 143808734) has the molecular formula C32H38 and a molecular weight of 422.66 g/mol. Its IUPAC name is ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene.

Molecular Properties

Compound Nameethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene
PubChem CID143808734
Molecular FormulaC32H38
Molecular Weight422.66 g/mol
Exact Mass422.30
IUPAC Nameethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene
SMILESC=C/C=C\C(=C/C)c1c2ccccc2c(/C(C=C)=C/C=C\C)c2ccccc12.CC.CC
InChIInChI=1S/C28H26.2C2H6/c1-5-9-15-21(7-3)27-23-17-11-13-19-25(23)28(22(8-4)16-10-6-2)26-20-14-12-18-24(26)27;2*1-2/h5-20H,1,4H2,2-3H3;2*1-2H3/b10-6-,15-9-,21-7+,22-16+;;
InChIKeyAPVLKVSWZNDHIE-VRFCVNPVSA-N
XLogP10.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5,12-bis[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6,11-diphenyltetracene
CID 144761623
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
1-hepta-1,3,5-trien-3-yl-2-methylbenzene
CID 123500463
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]aniline
CID 144768170
3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine
CID 144782355
ethane;(3E,5Z)-hepta-1,3,5-trien-3-amine;naphthalene-1,4-diamine
CID 145428630
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
ethane;2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzaldehyde
CID 142175336
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane
CID 156713969
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
8,9-bis(ethenyl)-12-hexa-2,4-dien-2-yl-5-hexa-1,3,5-trien-2-ylbenzo[10]annulene
CID 123191110
6-[10-[(2E,4Z)-hepta-2,4,6-trien-3-yl]anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzothiophene
CID 166706169

Frequently Asked Questions

What is the IUPAC name of ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene?
The IUPAC name of ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene (CID 143808734) is ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene.
What is the SMILES notation for ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene?
The canonical SMILES for ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene is C=C/C=C\C(=C/C)c1c2ccccc2c(/C(C=C)=C/C=C\C)c2ccccc12.CC.CC.
What is the InChIKey of ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene?
The InChIKey is APVLKVSWZNDHIE-VRFCVNPVSA-N. The full InChI is InChI=1S/C28H26.2C2H6/c1-5-9-15-21(7-3)27-23-17-11-13-19-25(23)28(22(8-4)16-10-6-2)26-20-14-12-18-24(26)27;2*1-2/h5-20H,1,4H2,2-3H3;2*1-2H3/b10-6-,15-9-,21-7+,22-16+;;.
What are the key properties of ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene?
ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene has a molecular weight of 422.66 g/mol, XLogP of 10.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene is sourced from PubChem (CID 143808734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).