2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene

C29H26 — CID 163575063

IUPAC2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene
SMILESC=Cc1ccc2cc(C3=CCC=C(c4ccccc4)C=C3)cc(C)c2c1C(=C)C
InChIInChI=1S/C29H26/c1-5-22-14-17-26-19-27(18-21(4)29(26)28(22)20(2)3)25-13-9-12-24(15-16-25)23-10-7-6-8-11-23/h5-8,10-19H,1-2,9H2,3-4H3
InChIKeyGCSWPMJMXSASGX-UHFFFAOYSA-N
MW374.53 g/mol
LogP8.25
Rot. Bonds4

About 2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene

2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene (PubChem CID 163575063) has the molecular formula C29H26 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene.

Molecular Properties

Compound Name2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene
PubChem CID163575063
Molecular FormulaC29H26
Molecular Weight374.53 g/mol
Exact Mass374.20
IUPAC Name2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene
SMILESC=Cc1ccc2cc(C3=CCC=C(c4ccccc4)C=C3)cc(C)c2c1C(=C)C
InChIInChI=1S/C29H26/c1-5-22-14-17-26-19-27(18-21(4)29(26)28(22)20(2)3)25-13-9-12-24(15-16-25)23-10-7-6-8-11-23/h5-8,10-19H,1-2,9H2,3-4H3
InChIKeyGCSWPMJMXSASGX-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene?
The IUPAC name of 2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene (CID 163575063) is 2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene.
What is the SMILES notation for 2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene?
The canonical SMILES for 2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene is C=Cc1ccc2cc(C3=CCC=C(c4ccccc4)C=C3)cc(C)c2c1C(=C)C.
What is the InChIKey of 2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene?
The InChIKey is GCSWPMJMXSASGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26/c1-5-22-14-17-26-19-27(18-21(4)29(26)28(22)20(2)3)25-13-9-12-24(15-16-25)23-10-7-6-8-11-23/h5-8,10-19H,1-2,9H2,3-4H3.
What are the key properties of 2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene?
2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene has a molecular weight of 374.53 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-8-methyl-6-(5-phenylcyclohepta-1,4,6-trien-1-yl)-1-prop-1-en-2-ylnaphthalene is sourced from PubChem (CID 163575063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).