2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene

C75H58 — CID 58881185

About 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene

2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene (PubChem CID 58881185) has the molecular formula C75H58 and a molecular weight of 959.29 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene.

Molecular Properties

• Compound Name: 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
• PubChem CID: 58881185
• Molecular Formula: C75H58
• Molecular Weight: 959.29 g/mol
• Exact Mass: 958.45
• IUPAC Name: 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5ccccc5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(-c6ccccc6)cccc5-c5ccccc5)ccc3-4)cc21
• InChI: InChI=1S/C75H58/c1-73(2)66-41-50(52-31-37-62-64-39-33-54(45-70(64)74(3,4)68(62)43-52)57-26-17-16-25-56(57)47-19-10-7-11-20-47)29-35-60(66)61-36-30-51(42-67(61)73)53-32-38-63-65-40-34-55(46-71(65)75(5,6)69(63)44-53)72-58(48-21-12-8-13-22-48)27-18-28-59(72)49-23-14-9-15-24-49/h7-46H,1-6H3
• InChIKey: NKFZRAJHANPLOA-UHFFFAOYSA-N
• XLogP: 20.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.29
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?

The IUPAC name of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene (CID 58881185) is 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene.

What is the SMILES notation for 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?

The canonical SMILES for 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5ccccc5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(-c6ccccc6)cccc5-c5ccccc5)ccc3-4)cc21.

What is the InChIKey of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?

The InChIKey is NKFZRAJHANPLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H58/c1-73(2)66-41-50(52-31-37-62-64-39-33-54(45-70(64)74(3,4)68(62)43-52)57-26-17-16-25-56(57)47-19-10-7-11-20-47)29-35-60(66)61-36-30-51(42-67(61)73)53-32-38-63-65-40-34-55(46-71(65)75(5,6)69(63)44-53)72-58(48-21-12-8-13-22-48)27-18-28-59(72)49-23-14-9-15-24-49/h7-46H,1-6H3.

What are the key properties of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?

2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene has a molecular weight of 959.29 g/mol, XLogP of 20.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 58881185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).