10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran

C55H36O — CID 121421240

About 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran

10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 121421240) has the molecular formula C55H36O and a molecular weight of 712.89 g/mol. Its IUPAC name is 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 121421240
• Molecular Formula: C55H36O
• Molecular Weight: 712.89 g/mol
• Exact Mass: 712.28
• IUPAC Name: 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• SMILES: CC1(C)c2cc3ccccc3cc2-c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccc6oc7ccc8ccccc8c7c6c5)c5ccccc45)c3)c21
• InChI: InChI=1S/C55H36O/c1-55(2)48-32-35-15-4-3-14-34(35)30-46(48)45-24-12-23-40(54(45)55)36-16-11-17-37(29-36)51-41-19-7-9-21-43(41)52(44-22-10-8-20-42(44)51)38-26-27-49-47(31-38)53-39-18-6-5-13-33(39)25-28-50(53)56-49/h3-32H,1-2H3
• InChIKey: ZBDGGGREYKEPJQ-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.89
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The IUPAC name of 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran (CID 121421240) is 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran is CC1(C)c2cc3ccccc3cc2-c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccc6oc7ccc8ccccc8c7c6c5)c5ccccc45)c3)c21.

What is the InChIKey of 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The InChIKey is ZBDGGGREYKEPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O/c1-55(2)48-32-35-15-4-3-14-34(35)30-46(48)45-24-12-23-40(54(45)55)36-16-11-17-37(29-36)51-41-19-7-9-21-43(41)52(44-22-10-8-20-42(44)51)38-26-27-49-47(31-38)53-39-18-6-5-13-33(39)25-28-50(53)56-49/h3-32H,1-2H3.

What are the key properties of 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 712.89 g/mol, XLogP of 15.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 121421240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).