ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene

C44H48 — CID 143743058

IUPACethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene
SMILESC=C/C=C\C(=C)CC(=C1C(=C/C)\c2ccc(-c3ccccc3)c3c(-c4ccccc4)ccc\1c23)/C(C)=C/C=C\C.CC.CC
InChIInChI=1S/C40H36.2C2H6/c1-6-9-17-28(4)27-37(29(5)18-10-7-2)38-32(8-3)35-25-23-33(30-19-13-11-14-20-30)39-34(24-26-36(38)40(35)39)31-21-15-12-16-22-31;2*1-2/h6-26H,1,4,27H2,2-3,5H3;2*1-2H3/b10-7-,17-9-,29-18+,32-8-,38-37-;;
InChIKeyYOJFPUOVJMCRQD-VKUYCICDSA-N
MW576.87 g/mol
LogP13.61
Rot. Bonds8

About ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene

ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene (PubChem CID 143743058) has the molecular formula C44H48 and a molecular weight of 576.87 g/mol. Its IUPAC name is ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene.

Molecular Properties

Compound Nameethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene
PubChem CID143743058
Molecular FormulaC44H48
Molecular Weight576.87 g/mol
Exact Mass576.38
IUPAC Nameethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene
SMILESC=C/C=C\C(=C)CC(=C1C(=C/C)\c2ccc(-c3ccccc3)c3c(-c4ccccc4)ccc\1c23)/C(C)=C/C=C\C.CC.CC
InChIInChI=1S/C40H36.2C2H6/c1-6-9-17-28(4)27-37(29(5)18-10-7-2)38-32(8-3)35-25-23-33(30-19-13-11-14-20-30)39-34(24-26-36(38)40(35)39)31-21-15-12-16-22-31;2*1-2/h6-26H,1,4,27H2,2-3,5H3;2*1-2H3/b10-7-,17-9-,29-18+,32-8-,38-37-;;
InChIKeyYOJFPUOVJMCRQD-VKUYCICDSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.87
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene with MolForge

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Related Compounds

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CID 126518692
3-[(3E,5Z)-3-ethylhepta-1,3,5-trien-2-yl]-8-methyl-2-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]-5-phenyl-1,4-benzodithiine
CID 144644905
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CID 145276340
8,9-bis(ethenyl)-12-hexa-2,4-dien-2-yl-5-hexa-1,3,5-trien-2-ylbenzo[10]annulene
CID 123191110
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
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(1E,2E)-6-[(E)-but-1-enyl]-1-[(E)-but-2-enylidene]-2-ethylidene-5-[(3Z)-hexa-1,3,5-trien-2-yl]acenaphthylene
CID 143743106
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
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Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene?
The IUPAC name of ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene (CID 143743058) is ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene.
What is the SMILES notation for ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene?
The canonical SMILES for ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene is C=C/C=C\C(=C)CC(=C1C(=C/C)\c2ccc(-c3ccccc3)c3c(-c4ccccc4)ccc\1c23)/C(C)=C/C=C\C.CC.CC.
What is the InChIKey of ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene?
The InChIKey is YOJFPUOVJMCRQD-VKUYCICDSA-N. The full InChI is InChI=1S/C40H36.2C2H6/c1-6-9-17-28(4)27-37(29(5)18-10-7-2)38-32(8-3)35-25-23-33(30-19-13-11-14-20-30)39-34(24-26-36(38)40(35)39)31-21-15-12-16-22-31;2*1-2/h6-26H,1,4,27H2,2-3,5H3;2*1-2H3/b10-7-,17-9-,29-18+,32-8-,38-37-;;.
What are the key properties of ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene?
ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene has a molecular weight of 576.87 g/mol, XLogP of 13.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,2Z)-1-ethylidene-2-[(2Z,4E,9Z)-5-methyl-8-methylidenedodeca-2,4,9,11-tetraen-6-ylidene]-5,6-diphenylacenaphthylene is sourced from PubChem (CID 143743058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).