9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene

C96H70 — CID 158036486

About 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene

9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene (PubChem CID 158036486) has the molecular formula C96H70 and a molecular weight of 1223.62 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene
• PubChem CID: 158036486
• Molecular Formula: C96H70
• Molecular Weight: 1223.62 g/mol
• Exact Mass: 1222.55
• IUPAC Name: 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene
• SMILES: Cc1ccc2c(-c3ccc4cc(-c5cccc6ccccc56)ccc4c3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3ccc4cc(-c5ccccc5)ccc4c3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
• InChI: InChI=1S/C50H36.C46H34/c1-31-22-27-41-44(28-31)48(43-19-11-21-46-49(43)42-17-8-9-20-45(42)50(46,2)3)40-16-7-6-15-39(40)47(41)36-26-24-33-29-35(25-23-34(33)30-36)38-18-10-13-32-12-4-5-14-37(32)38;1-29-20-25-37-40(26-29)44(39-17-11-19-42-45(39)38-16-9-10-18-41(38)46(42,2)3)36-15-8-7-14-35(36)43(37)34-24-23-32-27-31(21-22-33(32)28-34)30-12-5-4-6-13-30/h4-30H,1-3H3;4-28H,1-3H3
• InChIKey: FHUQECOHKDNVGD-UHFFFAOYSA-N
• XLogP: 26.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1223.62
LogP ≤ 5	26.68
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 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene (CID 158036486) is 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene?

The canonical SMILES for 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene is Cc1ccc2c(-c3ccc4cc(-c5cccc6ccccc56)ccc4c3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3ccc4cc(-c5ccccc5)ccc4c3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.

What is the InChIKey of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene?

The InChIKey is FHUQECOHKDNVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36.C46H34/c1-31-22-27-41-44(28-31)48(43-19-11-21-46-49(43)42-17-8-9-20-45(42)50(46,2)3)40-16-7-6-15-39(40)47(41)36-26-24-33-29-35(25-23-34(33)30-36)38-18-10-13-32-12-4-5-14-37(32)38;1-29-20-25-37-40(26-29)44(39-17-11-19-42-45(39)38-16-9-10-18-41(38)46(42,2)3)36-15-8-7-14-35(36)43(37)34-24-23-32-27-31(21-22-33(32)28-34)30-12-5-4-6-13-30/h4-30H,1-3H3;4-28H,1-3H3.

What are the key properties of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene?

9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene has a molecular weight of 1223.62 g/mol, XLogP of 26.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 158036486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).