11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene

C47H30O2 — CID 134487897

About 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene

11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene (PubChem CID 134487897) has the molecular formula C47H30O2 and a molecular weight of 626.76 g/mol. Its IUPAC name is 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene.

Molecular Properties

• Compound Name: 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
• PubChem CID: 134487897
• Molecular Formula: C47H30O2
• Molecular Weight: 626.76 g/mol
• Exact Mass: 626.22
• IUPAC Name: 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5c4oc4ccccc45)c4ccccc34)cc21
• InChI: InChI=1S/C47H30O2/c1-47(2)38-20-10-7-13-28(38)29-24-23-27(25-39(29)47)42-31-15-3-5-17-33(31)43(34-18-6-4-16-32(34)42)37-26-36-30-14-8-11-21-40(30)48-45(36)44-35-19-9-12-22-41(35)49-46(37)44/h3-26H,1-2H3
• InChIKey: YTGZHTGKDLPRCN-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.76
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?

The IUPAC name of 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene (CID 134487897) is 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene.

What is the SMILES notation for 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?

The canonical SMILES for 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5c4oc4ccccc45)c4ccccc34)cc21.

What is the InChIKey of 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?

The InChIKey is YTGZHTGKDLPRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30O2/c1-47(2)38-20-10-7-13-28(38)29-24-23-27(25-39(29)47)42-31-15-3-5-17-33(31)43(34-18-6-4-16-32(34)42)37-26-36-30-14-8-11-21-40(30)48-45(36)44-35-19-9-12-22-41(35)49-46(37)44/h3-26H,1-2H3.

What are the key properties of 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?

11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene has a molecular weight of 626.76 g/mol, XLogP of 13.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene is sourced from PubChem (CID 134487897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).