2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran

C61H40O — CID 144583462

About 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran

2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 144583462) has the molecular formula C61H40O and a molecular weight of 788.99 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 144583462
• Molecular Formula: C61H40O
• Molecular Weight: 788.99 g/mol
• Exact Mass: 788.31
• IUPAC Name: 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran
• SMILES: CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2-c2ccc(-c3ccc4oc5cc6ccccc6cc5c4c3)cc21
• InChI: InChI=1S/C61H40O/c1-61(2)55-34-44(25-28-47(55)48-29-26-45(35-56(48)61)43-27-30-57-53(33-43)54-32-41-13-5-6-14-42(41)36-58(54)62-57)38-19-22-39(23-20-38)59-49-15-7-9-17-51(49)60(52-18-10-8-16-50(52)59)46-24-21-37-11-3-4-12-40(37)31-46/h3-36H,1-2H3
• InChIKey: DZRACUFHSUUKTI-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.99
LogP ≤ 5	17.17
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 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran (CID 144583462) is 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran is CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2-c2ccc(-c3ccc4oc5cc6ccccc6cc5c4c3)cc21.

What is the InChIKey of 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is DZRACUFHSUUKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40O/c1-61(2)55-34-44(25-28-47(55)48-29-26-45(35-56(48)61)43-27-30-57-53(33-43)54-32-41-13-5-6-14-42(41)36-58(54)62-57)38-19-22-39(23-20-38)59-49-15-7-9-17-51(49)60(52-18-10-8-16-50(52)59)46-24-21-37-11-3-4-12-40(37)31-46/h3-36H,1-2H3.

What are the key properties of 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran?

2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 788.99 g/mol, XLogP of 17.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 144583462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).