2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene

C30H28 — CID 145347893

IUPAC2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene
SMILESC/C=C(C(\C)=C(C)\C=C(/C)c1ccc2ccccc2c1)/c1ccc2ccccc2c1
InChIInChI=1S/C30H28/c1-5-30(29-17-15-25-11-7-9-13-28(25)20-29)23(4)21(2)18-22(3)26-16-14-24-10-6-8-12-27(24)19-26/h5-20H,1-4H3/b22-18+,23-21+,30-5+
InChIKeyNPNVCUVJMGXJSH-GSAWKNRJSA-N
MW388.55 g/mol
LogP8.84
Rot. Bonds4

About 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene

2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene (PubChem CID 145347893) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene.

Molecular Properties

Compound Name2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene
PubChem CID145347893
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene
SMILESC/C=C(C(\C)=C(C)\C=C(/C)c1ccc2ccccc2c1)/c1ccc2ccccc2c1
InChIInChI=1S/C30H28/c1-5-30(29-17-15-25-11-7-9-13-28(25)20-29)23(4)21(2)18-22(3)26-16-14-24-10-6-8-12-27(24)19-26/h5-20H,1-4H3/b22-18+,23-21+,30-5+
InChIKeyNPNVCUVJMGXJSH-GSAWKNRJSA-N
XLogP8.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene with MolForge

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Related Compounds

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CID 91215732
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methyl 3-naphthalen-2-ylbut-2-enoate
CID 54449907
2-(1-phenoxyprop-1-en-2-yl)naphthalene
CID 175768409
(Z)-1-naphthalen-2-ylprop-1-en-1-amine
CID 21343656
actinium;[(Z)-1-naphthalen-2-ylprop-1-enyl]azanide
CID 21343655
2-[(E)-1-nitroprop-1-en-2-yl]naphthalene
CID 25033772
2-(4-phenoxybut-2-en-2-yl)naphthalene
CID 141037566
2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene
CID 142975570
N-[(E)-but-2-en-2-yl]naphthalene-2-carboxamide
CID 173494224
(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
CID 102019956
ethyl (2E,4E,6Z)-3-methyl-7-naphthalen-2-ylocta-2,4,6-trienoate
CID 88629687

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene?
The IUPAC name of 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene (CID 145347893) is 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene.
What is the SMILES notation for 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene?
The canonical SMILES for 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene is C/C=C(C(\C)=C(C)\C=C(/C)c1ccc2ccccc2c1)/c1ccc2ccccc2c1.
What is the InChIKey of 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene?
The InChIKey is NPNVCUVJMGXJSH-GSAWKNRJSA-N. The full InChI is InChI=1S/C30H28/c1-5-30(29-17-15-25-11-7-9-13-28(25)20-29)23(4)21(2)18-22(3)26-16-14-24-10-6-8-12-27(24)19-26/h5-20H,1-4H3/b22-18+,23-21+,30-5+.
What are the key properties of 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene?
2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene has a molecular weight of 388.55 g/mol, XLogP of 8.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene is sourced from PubChem (CID 145347893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).