11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene

C58H38O3 — CID 147402873

About 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene

11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene (PubChem CID 147402873) has the molecular formula C58H38O3 and a molecular weight of 782.94 g/mol. Its IUPAC name is 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene.

Molecular Properties

• Compound Name: 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene
• PubChem CID: 147402873
• Molecular Formula: C58H38O3
• Molecular Weight: 782.94 g/mol
• Exact Mass: 782.28
• IUPAC Name: 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene
• SMILES: CC(C)(C)c1cccc(-c2c3ccccc3c(-c3ccc(-c4cc5ccc6oc7ccccc7c6c5c5c4oc4ccccc45)c4c3oc3ccccc34)c3ccccc23)c1
• InChI: InChI=1S/C58H38O3/c1-58(2,3)35-16-14-15-33(31-35)50-36-17-4-6-19-38(36)52(39-20-7-5-18-37(39)50)44-29-28-40(53-41-21-8-12-25-47(41)60-56(44)53)45-32-34-27-30-49-54(42-22-9-11-24-46(42)59-49)51(34)55-43-23-10-13-26-48(43)61-57(45)55/h4-32H,1-3H3
• InChIKey: DPCJIEUPHJXZMH-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.94
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene?

The IUPAC name of 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene (CID 147402873) is 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene.

What is the SMILES notation for 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene?

The canonical SMILES for 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene is CC(C)(C)c1cccc(-c2c3ccccc3c(-c3ccc(-c4cc5ccc6oc7ccccc7c6c5c5c4oc4ccccc45)c4c3oc3ccccc34)c3ccccc23)c1.

What is the InChIKey of 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene?

The InChIKey is DPCJIEUPHJXZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38O3/c1-58(2,3)35-16-14-15-33(31-35)50-36-17-4-6-19-38(36)52(39-20-7-5-18-37(39)50)44-29-28-40(53-41-21-8-12-25-47(41)60-56(44)53)45-32-34-27-30-49-54(42-22-9-11-24-46(42)59-49)51(34)55-43-23-10-13-26-48(43)61-57(45)55/h4-32H,1-3H3.

What are the key properties of 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene?

11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene has a molecular weight of 782.94 g/mol, XLogP of 17.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran-1-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene is sourced from PubChem (CID 147402873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).