4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene

C29H32 — CID 144768784

IUPAC4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene
SMILESC=C.C=CC.Cc1cc(-c2cc(C)c(C)c3ccccc23)c2ccccc2c1C
InChIInChI=1S/C24H22.C3H6.C2H4/c1-15-13-23(21-11-7-5-9-19(21)17(15)3)24-14-16(2)18(4)20-10-6-8-12-22(20)24;1-3-2;1-2/h5-14H,1-4H3;3H,1H2,2H3;1-2H2
InChIKeyVDDWXUMYKNAWJT-UHFFFAOYSA-N
MW380.58 g/mol
LogP8.89
Rot. Bonds1

About 4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene

4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene (PubChem CID 144768784) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is 4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene.

Molecular Properties

Compound Name4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene
PubChem CID144768784
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Name4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene
SMILESC=C.C=CC.Cc1cc(-c2cc(C)c(C)c3ccccc23)c2ccccc2c1C
InChIInChI=1S/C24H22.C3H6.C2H4/c1-15-13-23(21-11-7-5-9-19(21)17(15)3)24-14-16(2)18(4)20-10-6-8-12-22(20)24;1-3-2;1-2/h5-14H,1-4H3;3H,1H2,2H3;1-2H2
InChIKeyVDDWXUMYKNAWJT-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene?
The IUPAC name of 4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene (CID 144768784) is 4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene.
What is the SMILES notation for 4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene?
The canonical SMILES for 4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene is C=C.C=CC.Cc1cc(-c2cc(C)c(C)c3ccccc23)c2ccccc2c1C.
What is the InChIKey of 4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene?
The InChIKey is VDDWXUMYKNAWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22.C3H6.C2H4/c1-15-13-23(21-11-7-5-9-19(21)17(15)3)24-14-16(2)18(4)20-10-6-8-12-22(20)24;1-3-2;1-2/h5-14H,1-4H3;3H,1H2,2H3;1-2H2.
What are the key properties of 4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene?
4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene has a molecular weight of 380.58 g/mol, XLogP of 8.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylnaphthalen-1-yl)-1,2-dimethylnaphthalene;ethene;prop-1-ene is sourced from PubChem (CID 144768784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).