6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene

C65H57I — CID 89083902

About 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene

6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene (PubChem CID 89083902) has the molecular formula C65H57I and a molecular weight of 965.07 g/mol. Its IUPAC name is 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene.

Molecular Properties

• Compound Name: 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene
• PubChem CID: 89083902
• Molecular Formula: C65H57I
• Molecular Weight: 965.07 g/mol
• Exact Mass: 964.35
• IUPAC Name: 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5-c5ccc6c(c5)C(C)(C)C5CCCC(I)C65)c5c(c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4c3)=CCCC=5)cc21
• InChI: InChI=1S/C65H57I/c1-63(2)53-22-13-11-17-43(53)45-30-26-39(35-56(45)63)38-27-32-50-52(34-38)60(41-29-31-46-44-18-12-14-23-54(44)64(3,4)57(46)37-41)48-20-9-10-21-49(48)61(50)47-19-8-7-16-42(47)40-28-33-51-58(36-40)65(5,6)55-24-15-25-59(66)62(51)55/h7-8,11-14,16-23,26-37,55,59,62H,9-10,15,24-25H2,1-6H3
• InChIKey: HYPJTBIJJYFMFB-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.07
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene?

The IUPAC name of 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene (CID 89083902) is 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene.

What is the SMILES notation for 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene?

The canonical SMILES for 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5-c5ccc6c(c5)C(C)(C)C5CCCC(I)C65)c5c(c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4c3)=CCCC=5)cc21.

What is the InChIKey of 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene?

The InChIKey is HYPJTBIJJYFMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H57I/c1-63(2)53-22-13-11-17-43(53)45-30-26-39(35-56(45)63)38-27-32-50-52(34-38)60(41-29-31-46-44-18-12-14-23-54(44)64(3,4)57(46)37-41)48-20-9-10-21-49(48)61(50)47-19-8-7-16-42(47)40-28-33-51-58(36-40)65(5,6)55-24-15-25-59(66)62(51)55/h7-8,11-14,16-23,26-37,55,59,62H,9-10,15,24-25H2,1-6H3.

What are the key properties of 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene?

6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene has a molecular weight of 965.07 g/mol, XLogP of 16.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6,10-bis(9,9-dimethylfluoren-2-yl)-9-[2-(5-iodo-9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)phenyl]-2,3-dihydroanthracene is sourced from PubChem (CID 89083902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).