2-but-3-enyl-7-pent-4-enylphenanthrene

C23H24 — CID 139836962

IUPAC2-but-3-enyl-7-pent-4-enylphenanthrene
SMILESC=CCCCc1ccc2c(ccc3cc(CCC=C)ccc32)c1
InChIInChI=1S/C23H24/c1-3-5-7-9-19-11-15-23-21(17-19)13-12-20-16-18(8-6-4-2)10-14-22(20)23/h3-4,10-17H,1-2,5-9H2
InChIKeyKQHUXWBNDZAYCC-UHFFFAOYSA-N
MW300.45 g/mol
LogP6.62
Rot. Bonds7

About 2-but-3-enyl-7-pent-4-enylphenanthrene

2-but-3-enyl-7-pent-4-enylphenanthrene (PubChem CID 139836962) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-but-3-enyl-7-pent-4-enylphenanthrene.

Molecular Properties

Compound Name2-but-3-enyl-7-pent-4-enylphenanthrene
PubChem CID139836962
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name2-but-3-enyl-7-pent-4-enylphenanthrene
SMILESC=CCCCc1ccc2c(ccc3cc(CCC=C)ccc32)c1
InChIInChI=1S/C23H24/c1-3-5-7-9-19-11-15-23-21(17-19)13-12-20-16-18(8-6-4-2)10-14-22(20)23/h3-4,10-17H,1-2,5-9H2
InChIKeyKQHUXWBNDZAYCC-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-7-pent-4-enylphenanthrene?
The IUPAC name of 2-but-3-enyl-7-pent-4-enylphenanthrene (CID 139836962) is 2-but-3-enyl-7-pent-4-enylphenanthrene.
What is the SMILES notation for 2-but-3-enyl-7-pent-4-enylphenanthrene?
The canonical SMILES for 2-but-3-enyl-7-pent-4-enylphenanthrene is C=CCCCc1ccc2c(ccc3cc(CCC=C)ccc32)c1.
What is the InChIKey of 2-but-3-enyl-7-pent-4-enylphenanthrene?
The InChIKey is KQHUXWBNDZAYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-3-5-7-9-19-11-15-23-21(17-19)13-12-20-16-18(8-6-4-2)10-14-22(20)23/h3-4,10-17H,1-2,5-9H2.
What are the key properties of 2-but-3-enyl-7-pent-4-enylphenanthrene?
2-but-3-enyl-7-pent-4-enylphenanthrene has a molecular weight of 300.45 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-7-pent-4-enylphenanthrene is sourced from PubChem (CID 139836962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).