2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene

C89H66 — CID 58881057

About 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene

2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene (PubChem CID 58881057) has the molecular formula C89H66 and a molecular weight of 1135.51 g/mol. Its IUPAC name is 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene.

Molecular Properties

• Compound Name: 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
• PubChem CID: 58881057
• Molecular Formula: C89H66
• Molecular Weight: 1135.51 g/mol
• Exact Mass: 1134.52
• IUPAC Name: 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
• SMILES: CC1(C)c2cc(-c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8ccc(-c9cccc%10ccccc9%10)cc8)c7)ccc5-6)ccc3-4)cc21
• InChI: InChI=1S/C89H66/c1-87(2)81-49-65(63-21-11-19-61(47-63)55-27-31-59(32-28-55)73-25-13-17-57-15-7-9-23-71(57)73)35-41-75(81)77-43-37-67(51-83(77)87)69-39-45-79-80-46-40-70(54-86(80)89(5,6)85(79)53-69)68-38-44-78-76-42-36-66(50-82(76)88(3,4)84(78)52-68)64-22-12-20-62(48-64)56-29-33-60(34-30-56)74-26-14-18-58-16-8-10-24-72(58)74/h7-54H,1-6H3
• InChIKey: CWRKZWFKQOEKBK-UHFFFAOYSA-N
• XLogP: 24.25
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1135.51
LogP ≤ 5	24.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene?

The IUPAC name of 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene (CID 58881057) is 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene.

What is the SMILES notation for 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene?

The canonical SMILES for 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene is CC1(C)c2cc(-c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8ccc(-c9cccc%10ccccc9%10)cc8)c7)ccc5-6)ccc3-4)cc21.

What is the InChIKey of 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene?

The InChIKey is CWRKZWFKQOEKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H66/c1-87(2)81-49-65(63-21-11-19-61(47-63)55-27-31-59(32-28-55)73-25-13-17-57-15-7-9-23-71(57)73)35-41-75(81)77-43-37-67(51-83(77)87)69-39-45-79-80-46-40-70(54-86(80)89(5,6)85(79)53-69)68-38-44-78-76-42-36-66(50-82(76)88(3,4)84(78)52-68)64-22-12-20-62(48-64)56-29-33-60(34-30-56)74-26-14-18-58-16-8-10-24-72(58)74/h7-54H,1-6H3.

What are the key properties of 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene?

2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene has a molecular weight of 1135.51 g/mol, XLogP of 24.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 58881057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).