propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile

C29H33NO2 — CID 144550154

IUPACpropane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile
SMILESC=CCc1cc2cc(OC(C)C)c(CC=C)cc2cc1Oc1ccccc1C#N.CCC
InChIInChI=1S/C26H25NO2.C3H8/c1-5-9-19-13-23-16-26(29-24-12-8-7-11-21(24)17-27)20(10-6-2)14-22(23)15-25(19)28-18(3)4;1-3-2/h5-8,11-16,18H,1-2,9-10H2,3-4H3;3H2,1-2H3
InChIKeyYPQFOCXCVJJNHE-UHFFFAOYSA-N
MW427.59 g/mol
LogP8.16
Rot. Bonds8

About propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile

propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile (PubChem CID 144550154) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile.

Molecular Properties

Compound Namepropane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile
PubChem CID144550154
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Namepropane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile
SMILESC=CCc1cc2cc(OC(C)C)c(CC=C)cc2cc1Oc1ccccc1C#N.CCC
InChIInChI=1S/C26H25NO2.C3H8/c1-5-9-19-13-23-16-26(29-24-12-8-7-11-21(24)17-27)20(10-6-2)14-22(23)15-25(19)28-18(3)4;1-3-2/h5-8,11-16,18H,1-2,9-10H2,3-4H3;3H2,1-2H3
InChIKeyYPQFOCXCVJJNHE-UHFFFAOYSA-N
XLogP8.16
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane
CID 144550156
ethane;propane;2-propan-2-yloxybenzonitrile
CID 145341858
2-(2-prop-2-enylphenoxy)propanenitrile
CID 13355012
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]benzonitrile
CID 82955859
1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene
CID 135024891
2-[2-(bromomethyl)phenoxy]benzonitrile
CID 107086481
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile
CID 112828122
2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile
CID 43285237
2-chloro-4-(2-prop-2-enylphenoxy)benzonitrile
CID 11492737
2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169394564

Frequently Asked Questions

What is the IUPAC name of propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile?
The IUPAC name of propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile (CID 144550154) is propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile.
What is the SMILES notation for propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile?
The canonical SMILES for propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile is C=CCc1cc2cc(OC(C)C)c(CC=C)cc2cc1Oc1ccccc1C#N.CCC.
What is the InChIKey of propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile?
The InChIKey is YPQFOCXCVJJNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2.C3H8/c1-5-9-19-13-23-16-26(29-24-12-8-7-11-21(24)17-27)20(10-6-2)14-22(23)15-25(19)28-18(3)4;1-3-2/h5-8,11-16,18H,1-2,9-10H2,3-4H3;3H2,1-2H3.
What are the key properties of propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile?
propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile has a molecular weight of 427.59 g/mol, XLogP of 8.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile is sourced from PubChem (CID 144550154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).