3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran

C37H26O — CID 170224862

About 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran

3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran (PubChem CID 170224862) has the molecular formula C37H26O and a molecular weight of 486.61 g/mol. Its IUPAC name is 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran
• PubChem CID: 170224862
• Molecular Formula: C37H26O
• Molecular Weight: 486.61 g/mol
• Exact Mass: 486.20
• IUPAC Name: 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran
• SMILES: C=C(/C=c1/cccc/c1=C/C)c1c2ccccc2c(-c2ccc3c(c2)oc2ccccc23)c2ccccc12
• InChI: InChI=1S/C37H26O/c1-3-25-12-4-5-13-26(25)22-24(2)36-30-15-6-8-17-32(30)37(33-18-9-7-16-31(33)36)27-20-21-29-28-14-10-11-19-34(28)38-35(29)23-27/h3-23H,2H2,1H3/b25-3-,26-22-
• InChIKey: SAIVLHIRAOBGNC-LDAZEADKSA-N
• XLogP: 8.85
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.61
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran?

The IUPAC name of 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran (CID 170224862) is 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran?

The canonical SMILES for 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran is C=C(/C=c1/cccc/c1=C/C)c1c2ccccc2c(-c2ccc3c(c2)oc2ccccc23)c2ccccc12.

What is the InChIKey of 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran?

The InChIKey is SAIVLHIRAOBGNC-LDAZEADKSA-N. The full InChI is InChI=1S/C37H26O/c1-3-25-12-4-5-13-26(25)22-24(2)36-30-15-6-8-17-32(30)37(33-18-9-7-16-31(33)36)27-20-21-29-28-14-10-11-19-34(28)38-35(29)23-27/h3-23H,2H2,1H3/b25-3-,26-22-.

What are the key properties of 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran?

3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran has a molecular weight of 486.61 g/mol, XLogP of 8.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170224862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).