18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]

C53H32O — CID 118521003

About 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]

18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene] (PubChem CID 118521003) has the molecular formula C53H32O and a molecular weight of 684.84 g/mol. Its IUPAC name is 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene].

Molecular Properties

• Compound Name: 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]
• PubChem CID: 118521003
• Molecular Formula: C53H32O
• Molecular Weight: 684.84 g/mol
• Exact Mass: 684.25
• IUPAC Name: 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c-4c4ccccc4c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C53H32O/c1-2-16-33(17-3-1)49-38-21-7-9-23-40(38)50(41-24-10-8-22-39(41)49)34-30-31-43-46(32-34)53(44-26-12-14-28-47(44)54-48-29-15-13-27-45(48)53)52-42-25-11-5-19-36(42)35-18-4-6-20-37(35)51(43)52/h1-32H
• InChIKey: RDPQWGLTADBXBK-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.84
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]?

The IUPAC name of 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene] (CID 118521003) is 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene].

What is the SMILES notation for 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]?

The canonical SMILES for 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene] is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c-4c4ccccc4c4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]?

The InChIKey is RDPQWGLTADBXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32O/c1-2-16-33(17-3-1)49-38-21-7-9-23-40(38)50(41-24-10-8-22-39(41)49)34-30-31-43-46(32-34)53(44-26-12-14-28-47(44)54-48-29-15-13-27-45(48)53)52-42-25-11-5-19-36(42)35-18-4-6-20-37(35)51(43)52/h1-32H.

What are the key properties of 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]?

18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene] has a molecular weight of 684.84 g/mol, XLogP of 14.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene] is sourced from PubChem (CID 118521003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).