3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran

C43H32O — CID 155199860

About 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran

3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran (PubChem CID 155199860) has the molecular formula C43H32O and a molecular weight of 564.73 g/mol. Its IUPAC name is 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran
• PubChem CID: 155199860
• Molecular Formula: C43H32O
• Molecular Weight: 564.73 g/mol
• Exact Mass: 564.25
• IUPAC Name: 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran
• SMILES: C=C/C=C\C(=C1\C=CC=CC1)c1ccc(-c2c3c(c(-c4ccc5c(c4)oc4ccccc45)c4ccccc24)CCC=C3)cc1
• InChI: InChI=1S/C43H32O/c1-2-3-15-33(29-13-5-4-6-14-29)30-22-24-31(25-23-30)42-36-17-7-9-19-38(36)43(39-20-10-8-18-37(39)42)32-26-27-35-34-16-11-12-21-40(34)44-41(35)28-32/h2-9,11-13,15-19,21-28H,1,10,14,20H2/b15-3-,33-29+
• InChIKey: DAMJZIUJGTUQOB-LVWAQBONSA-N
• XLogP: 12.04
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.73
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran?

The IUPAC name of 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran (CID 155199860) is 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran.

What is the SMILES notation for 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran?

The canonical SMILES for 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran is C=C/C=C\C(=C1\C=CC=CC1)c1ccc(-c2c3c(c(-c4ccc5c(c4)oc4ccccc45)c4ccccc24)CCC=C3)cc1.

What is the InChIKey of 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran?

The InChIKey is DAMJZIUJGTUQOB-LVWAQBONSA-N. The full InChI is InChI=1S/C43H32O/c1-2-3-15-33(29-13-5-4-6-14-29)30-22-24-31(25-23-30)42-36-17-7-9-19-38(36)43(39-20-10-8-18-37(39)42)32-26-27-35-34-16-11-12-21-40(34)44-41(35)28-32/h2-9,11-13,15-19,21-28H,1,10,14,20H2/b15-3-,33-29+.

What are the key properties of 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran?

3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran has a molecular weight of 564.73 g/mol, XLogP of 12.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 155199860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).