ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene

C41H46 — CID 143531982

IUPACethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene
SMILESC=Cc1cc(C)ccc1CCC.C=Cc1ccc2ccc(/C=C\c3ccc4ccc(CCC)cc4c3)cc2c1.CC
InChIInChI=1S/C27H24.C12H16.C2H6/c1-3-5-21-9-13-25-15-11-23(19-27(25)17-21)7-6-22-10-14-24-12-8-20(4-2)16-26(24)18-22;1-4-6-12-8-7-10(3)9-11(12)5-2;1-2/h4,6-19H,2-3,5H2,1H3;5,7-9H,2,4,6H2,1,3H3;1-2H3/b7-6-;;
InChIKeyLPGFLGOUJWMSOL-AQTVDGORSA-N
MW538.82 g/mol
LogP12.38
Rot. Bonds8

About ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene

ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene (PubChem CID 143531982) has the molecular formula C41H46 and a molecular weight of 538.82 g/mol. Its IUPAC name is ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene.

Molecular Properties

Compound Nameethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene
PubChem CID143531982
Molecular FormulaC41H46
Molecular Weight538.82 g/mol
Exact Mass538.36
IUPAC Nameethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene
SMILESC=Cc1cc(C)ccc1CCC.C=Cc1ccc2ccc(/C=C\c3ccc4ccc(CCC)cc4c3)cc2c1.CC
InChIInChI=1S/C27H24.C12H16.C2H6/c1-3-5-21-9-13-25-15-11-23(19-27(25)17-21)7-6-22-10-14-24-12-8-20(4-2)16-26(24)18-22;1-4-6-12-8-7-10(3)9-11(12)5-2;1-2/h4,6-19H,2-3,5H2,1H3;5,7-9H,2,4,6H2,1,3H3;1-2H3/b7-6-;;
InChIKeyLPGFLGOUJWMSOL-AQTVDGORSA-N
XLogP12.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.82
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-7-propylnaphthalene
CID 59912073
ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene
CID 143112871
2-methyl-7-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]naphthalene
CID 6109061
1-ethenyl-2,4-dipropylbenzene
CID 22033822
1-[(E)-3,3-dimethylbut-1-enyl]-4-ethenylbenzene;2,4-dimethyl-1-propylbenzene;ethane;ethene
CID 143048608
1,4-dibutyl-2-ethenylbenzene
CID 140596757
5-methyl-2-propylbenzaldehyde
CID 23586663
2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene
CID 177009018
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
2-(6-ethenylnaphthalen-2-yl)ethylsilane
CID 158173365
N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine
CID 134531448
2-(bromomethyl)-6-ethenylnaphthalene
CID 139944485

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene?
The IUPAC name of ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene (CID 143531982) is ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene.
What is the SMILES notation for ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene?
The canonical SMILES for ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene is C=Cc1cc(C)ccc1CCC.C=Cc1ccc2ccc(/C=C\c3ccc4ccc(CCC)cc4c3)cc2c1.CC.
What is the InChIKey of ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene?
The InChIKey is LPGFLGOUJWMSOL-AQTVDGORSA-N. The full InChI is InChI=1S/C27H24.C12H16.C2H6/c1-3-5-21-9-13-25-15-11-23(19-27(25)17-21)7-6-22-10-14-24-12-8-20(4-2)16-26(24)18-22;1-4-6-12-8-7-10(3)9-11(12)5-2;1-2/h4,6-19H,2-3,5H2,1H3;5,7-9H,2,4,6H2,1,3H3;1-2H3/b7-6-;;.
What are the key properties of ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene?
ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene has a molecular weight of 538.82 g/mol, XLogP of 12.38, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene is sourced from PubChem (CID 143531982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).