18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

C54H30O3 — CID 130185542

About 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 130185542) has the molecular formula C54H30O3 and a molecular weight of 726.83 g/mol. Its IUPAC name is 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
• PubChem CID: 130185542
• Molecular Formula: C54H30O3
• Molecular Weight: 726.83 g/mol
• Exact Mass: 726.22
• IUPAC Name: 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
• SMILES: c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7oc8c(ccc9c%10ccccc%10oc98)c7cc6c5)cc4)c4ccccc34)ccc12
• InChI: InChI=1S/C54H30O3/c1-3-13-42-40(11-1)51(41-12-2-4-14-43(41)52(42)35-23-24-39-37-9-5-7-15-47(37)55-49(39)30-35)32-19-17-31(18-20-32)33-21-22-34-29-50-46(28-36(34)27-33)45-26-25-44-38-10-6-8-16-48(38)56-53(44)54(45)57-50/h1-30H
• InChIKey: PEYZOEQCCNPSOQ-UHFFFAOYSA-N
• XLogP: 15.85
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.83
LogP ≤ 5	15.85
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 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

The IUPAC name of 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (CID 130185542) is 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

What is the SMILES notation for 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

The canonical SMILES for 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7oc8c(ccc9c%10ccccc%10oc98)c7cc6c5)cc4)c4ccccc34)ccc12.

What is the InChIKey of 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

The InChIKey is PEYZOEQCCNPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30O3/c1-3-13-42-40(11-1)51(41-12-2-4-14-43(41)52(42)35-23-24-39-37-9-5-7-15-47(37)55-49(39)30-35)32-19-17-31(18-20-32)33-21-22-34-29-50-46(28-36(34)27-33)45-26-25-44-38-10-6-8-16-48(38)56-53(44)54(45)57-50/h1-30H.

What are the key properties of 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 726.83 g/mol, XLogP of 15.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 130185542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).