2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene

C102H114 — CID 140686916

About 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene

2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene (PubChem CID 140686916) has the molecular formula C102H114 and a molecular weight of 1340.03 g/mol. Its IUPAC name is 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene.

Molecular Properties

• Compound Name: 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene
• PubChem CID: 140686916
• Molecular Formula: C102H114
• Molecular Weight: 1340.03 g/mol
• Exact Mass: 1338.89
• IUPAC Name: 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)c3)cc21
• InChI: InChI=1S/C102H114/c1-7-11-15-19-23-35-61-101(62-36-24-20-16-12-8-2)97-66-76(6)51-56-92(97)93-59-54-82(73-99(93)101)86-68-87(70-88(69-86)96-71-80(77-42-29-27-30-43-77)52-57-91(96)78-44-31-28-32-45-78)83-55-60-95-94-58-53-81(79-46-40-48-85(67-79)90-50-34-33-49-89(90)84-47-39-41-75(5)65-84)72-98(94)102(100(95)74-83,63-37-25-21-17-13-9-3)64-38-26-22-18-14-10-4/h27-34,39-60,65-74H,7-26,35-38,61-64H2,1-6H3
• InChIKey: VWGJIBIQVPCAOA-UHFFFAOYSA-N
• XLogP: 31.17
• TPSA: 0.00 Ų
• Rotatable Bonds: 36
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1340.03
LogP ≤ 5	31.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene?

The IUPAC name of 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene (CID 140686916) is 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene.

What is the SMILES notation for 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene?

The canonical SMILES for 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)c3)cc21.

What is the InChIKey of 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene?

The InChIKey is VWGJIBIQVPCAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H114/c1-7-11-15-19-23-35-61-101(62-36-24-20-16-12-8-2)97-66-76(6)51-56-92(97)93-59-54-82(73-99(93)101)86-68-87(70-88(69-86)96-71-80(77-42-29-27-30-43-77)52-57-91(96)78-44-31-28-32-45-78)83-55-60-95-94-58-53-81(79-46-40-48-85(67-79)90-50-34-33-49-89(90)84-47-39-41-75(5)65-84)72-98(94)102(100(95)74-83,63-37-25-21-17-13-9-3)64-38-26-22-18-14-10-4/h27-34,39-60,65-74H,7-26,35-38,61-64H2,1-6H3.

What are the key properties of 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene?

2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene has a molecular weight of 1340.03 g/mol, XLogP of 31.17, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene is sourced from PubChem (CID 140686916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).