9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine

C139H164N2 — CID 159912719

About 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine (PubChem CID 159912719) has the molecular formula C139H164N2 and a molecular weight of 1862.85 g/mol. Its IUPAC name is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine.

Molecular Properties

• Compound Name: 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
• PubChem CID: 159912719
• Molecular Formula: C139H164N2
• Molecular Weight: 1862.85 g/mol
• Exact Mass: 1861.29
• IUPAC Name: 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21.CCCCCCc1cc(CCCCCC)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.Cc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(C)ccc1-2
• InChI: InChI=1S/C57H68N2.C51H70.C31H26/c1-7-9-11-13-15-17-39-57(40-18-16-14-12-10-8-2)55-41-51(58(47-27-19-43(3)20-28-47)48-29-21-44(4)22-30-48)35-37-53(55)54-38-36-52(42-56(54)57)59(49-31-23-45(5)24-32-49)50-33-25-46(6)26-34-50;1-7-11-15-19-23-41-33-42(24-20-16-12-8-2)36-45(35-41)51(49-31-39(5)27-29-47(49)48-30-28-40(6)32-50(48)51)46-37-43(25-21-17-13-9-3)34-44(38-46)26-22-18-14-10-4;1-19-3-13-27-28-14-4-20(2)16-30(28)31(29(27)15-19,25-11-9-21-5-7-23(21)17-25)26-12-10-22-6-8-24(22)18-26/h19-38,41-42H,7-18,39-40H2,1-6H3;27-38H,7-26H2,1-6H3;3-4,9-18H,5-8H2,1-2H3
• InChIKey: NXJOYWHWKOLGQM-UHFFFAOYSA-N
• XLogP: 39.65
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 44
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1862.85
LogP ≤ 5	39.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?

The IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine (CID 159912719) is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine.

What is the SMILES notation for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?

The canonical SMILES for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21.CCCCCCc1cc(CCCCCC)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.Cc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(C)ccc1-2.

What is the InChIKey of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?

The InChIKey is NXJOYWHWKOLGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H68N2.C51H70.C31H26/c1-7-9-11-13-15-17-39-57(40-18-16-14-12-10-8-2)55-41-51(58(47-27-19-43(3)20-28-47)48-29-21-44(4)22-30-48)35-37-53(55)54-38-36-52(42-56(54)57)59(49-31-23-45(5)24-32-49)50-33-25-46(6)26-34-50;1-7-11-15-19-23-41-33-42(24-20-16-12-8-2)36-45(35-41)51(49-31-39(5)27-29-47(49)48-30-28-40(6)32-50(48)51)46-37-43(25-21-17-13-9-3)34-44(38-46)26-22-18-14-10-4;1-19-3-13-27-28-14-4-20(2)16-30(28)31(29(27)15-19,25-11-9-21-5-7-23(21)17-25)26-12-10-22-6-8-24(22)18-26/h19-38,41-42H,7-18,39-40H2,1-6H3;27-38H,7-26H2,1-6H3;3-4,9-18H,5-8H2,1-2H3.

What are the key properties of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine has a molecular weight of 1862.85 g/mol, XLogP of 39.65, 44 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine is sourced from PubChem (CID 159912719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).