8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]

C60H44 — CID 168808966

About 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]

8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] (PubChem CID 168808966) has the molecular formula C60H44 and a molecular weight of 765.01 g/mol. Its IUPAC name is 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene].

Molecular Properties

• Compound Name: 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
• PubChem CID: 168808966
• Molecular Formula: C60H44
• Molecular Weight: 765.01 g/mol
• Exact Mass: 764.34
• IUPAC Name: 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6cc7c(cc56)C5(c6cc8ccccc8cc6-7)C6CC7CC(C6)CC5C7)ccc4c3)c3ccccc23)cc1
• InChI: InChI=1S/C60H44/c1-2-11-38(12-3-1)58-49-16-6-8-18-51(49)59(52-19-9-7-17-50(52)58)45-24-22-41-30-44(23-21-42(41)31-45)48-20-10-15-43-33-55-54-32-39-13-4-5-14-40(39)34-56(54)60(57(55)35-53(43)48)46-26-36-25-37(28-46)29-47(60)27-36/h1-24,30-37,46-47H,25-29H2
• InChIKey: MYDGPIAHKKJHQI-UHFFFAOYSA-N
• XLogP: 16.18
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.01
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

The IUPAC name of 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] (CID 168808966) is 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene].

What is the SMILES notation for 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

The canonical SMILES for 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] is c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6cc7c(cc56)C5(c6cc8ccccc8cc6-7)C6CC7CC(C6)CC5C7)ccc4c3)c3ccccc23)cc1.

What is the InChIKey of 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

The InChIKey is MYDGPIAHKKJHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44/c1-2-11-38(12-3-1)58-49-16-6-8-18-51(49)59(52-19-9-7-17-50(52)58)45-24-22-41-30-44(23-21-42(41)31-45)48-20-10-15-43-33-55-54-32-39-13-4-5-14-40(39)34-56(54)60(57(55)35-53(43)48)46-26-36-25-37(28-46)29-47(60)27-36/h1-24,30-37,46-47H,25-29H2.

What are the key properties of 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] has a molecular weight of 765.01 g/mol, XLogP of 16.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] is sourced from PubChem (CID 168808966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).