9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene

C109H138 — CID 158736272

About 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene

9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene (PubChem CID 158736272) has the molecular formula C109H138 and a molecular weight of 1448.30 g/mol. Its IUPAC name is 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene.

Molecular Properties

• Compound Name: 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene
• PubChem CID: 158736272
• Molecular Formula: C109H138
• Molecular Weight: 1448.30 g/mol
• Exact Mass: 1447.08
• IUPAC Name: 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1
• InChI: InChI=1S/2C39H46.C31H46/c1-5-7-9-11-15-31-17-13-19-33(27-31)39(34-20-14-18-32(28-34)16-12-10-8-6-2)37-25-29(3)21-23-35(37)36-24-22-30(4)26-38(36)39;1-5-7-9-11-13-31-17-21-33(22-18-31)39(34-23-19-32(20-24-34)14-12-10-8-6-2)37-27-29(3)15-25-35(37)36-26-16-30(4)28-38(36)39;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31/h13-14,17-28H,5-12,15-16H2,1-4H3;15-28H,5-14H2,1-4H3;17-20,23-24H,5-16,21-22H2,1-4H3
• InChIKey: ILSIUJQMMSZBOP-UHFFFAOYSA-N
• XLogP: 31.90
• TPSA: 0.00 Ų
• Rotatable Bonds: 38
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1448.30
LogP ≤ 5	31.90
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 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene?

The IUPAC name of 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene (CID 158736272) is 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene.

What is the SMILES notation for 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene?

The canonical SMILES for 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.

What is the InChIKey of 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene?

The InChIKey is ILSIUJQMMSZBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H46.C31H46/c1-5-7-9-11-15-31-17-13-19-33(27-31)39(34-20-14-18-32(28-34)16-12-10-8-6-2)37-25-29(3)21-23-35(37)36-24-22-30(4)26-38(36)39;1-5-7-9-11-13-31-17-21-33(22-18-31)39(34-23-19-32(20-24-34)14-12-10-8-6-2)37-27-29(3)15-25-35(37)36-26-16-30(4)28-38(36)39;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31/h13-14,17-28H,5-12,15-16H2,1-4H3;15-28H,5-14H2,1-4H3;17-20,23-24H,5-16,21-22H2,1-4H3.

What are the key properties of 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene?

9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene has a molecular weight of 1448.30 g/mol, XLogP of 31.90, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene is sourced from PubChem (CID 158736272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).