9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole

C98H74O2 — CID 164755577

About 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole

9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole (PubChem CID 164755577) has the molecular formula C98H74O2 and a molecular weight of 1283.67 g/mol. Its IUPAC name is 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole.

Molecular Properties

• Compound Name: 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
• PubChem CID: 164755577
• Molecular Formula: C98H74O2
• Molecular Weight: 1283.67 g/mol
• Exact Mass: 1282.57
• IUPAC Name: 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
• SMILES: CC1(C)c2ccccc2-c2c(-c3cc(-c4cccc5c4-c4ccccc4C5(C)C)cc(C4(c5cc(-c6cccc7c6-c6ccccc6C7(C)C)cc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)cccc21
• InChI: InChI=1S/C98H74O2/c1-94(2)77-39-16-12-30-72(77)89-68(35-21-43-81(89)94)61-49-62(69-36-22-44-82-90(69)73-31-13-17-40-78(73)95(82,3)4)52-65(51-61)98(85-47-25-34-67(60-29-20-28-59(48-60)58-26-10-9-11-27-58)93(85)76-55-87-88(56-86(76)98)100-57-99-87)66-53-63(70-37-23-45-83-91(70)74-32-14-18-41-79(74)96(83,5)6)50-64(54-66)71-38-24-46-84-92(71)75-33-15-19-42-80(75)97(84,7)8/h9-56H,57H2,1-8H3
• InChIKey: FYVLMNZTDQFTSQ-UHFFFAOYSA-N
• XLogP: 25.01
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1283.67
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?

The IUPAC name of 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole (CID 164755577) is 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole.

What is the SMILES notation for 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?

The canonical SMILES for 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole is CC1(C)c2ccccc2-c2c(-c3cc(-c4cccc5c4-c4ccccc4C5(C)C)cc(C4(c5cc(-c6cccc7c6-c6ccccc6C7(C)C)cc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)cccc21.

What is the InChIKey of 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?

The InChIKey is FYVLMNZTDQFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H74O2/c1-94(2)77-39-16-12-30-72(77)89-68(35-21-43-81(89)94)61-49-62(69-36-22-44-82-90(69)73-31-13-17-40-78(73)95(82,3)4)52-65(51-61)98(85-47-25-34-67(60-29-20-28-59(48-60)58-26-10-9-11-27-58)93(85)76-55-87-88(56-86(76)98)100-57-99-87)66-53-63(70-37-23-45-83-91(70)74-32-14-18-41-79(74)96(83,5)6)50-64(54-66)71-38-24-46-84-92(71)75-33-15-19-42-80(75)97(84,7)8/h9-56H,57H2,1-8H3.

What are the key properties of 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?

9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole has a molecular weight of 1283.67 g/mol, XLogP of 25.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole is sourced from PubChem (CID 164755577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).