9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene

C168H194B2Br6N2O4 — CID 158886972

About 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene (PubChem CID 158886972) has the molecular formula C168H194B2Br6N2O4 and a molecular weight of 2806.46 g/mol. Its IUPAC name is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene.

Molecular Properties

• Compound Name: 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene
• PubChem CID: 158886972
• Molecular Formula: C168H194B2Br6N2O4
• Molecular Weight: 2806.46 g/mol
• Exact Mass: 2799.03
• IUPAC Name: 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene
• SMILES: Brc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(Br)ccc1-2.C=CCCCC1(CCCC=C)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(Br)cc3)cc21.CCCCCCc1cc(CCCCCC)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1
• InChI: InChI=1S/C61H88B2O4.C55H62Br2N2.C29H20Br2.C23H24Br2/c1-13-17-21-25-29-45-37-46(30-26-22-18-14-2)40-49(39-45)61(50-41-47(31-27-23-19-15-3)38-48(42-50)32-28-24-20-16-4)55-43-51(62-64-57(5,6)58(7,8)65-62)33-35-53(55)54-36-34-52(44-56(54)61)63-66-59(9,10)60(11,12)67-63;1-5-7-9-11-13-15-37-55(38-16-14-12-10-8-6-2)53-39-49(58(45-25-17-41(3)18-26-45)47-29-21-43(56)22-30-47)33-35-51(53)52-36-34-50(40-54(52)55)59(46-27-19-42(4)20-28-46)48-31-23-44(57)24-32-48;30-23-9-11-25-26-12-10-24(31)16-28(26)29(27(25)15-23,21-7-5-17-1-3-19(17)13-21)22-8-6-18-2-4-20(18)14-22;1-3-5-7-13-23(14-8-6-4-2)21-15-17(24)9-11-19(21)20-12-10-18(25)16-22(20)23/h33-44H,13-32H2,1-12H3;17-36,39-40H,5-16,37-38H2,1-4H3;5-16H,1-4H2;3-4,9-12,15-16H,1-2,5-8,13-14H2
• InChIKey: JDTCWMOQDXOHRM-UHFFFAOYSA-N
• XLogP: 49.64
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 54
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2806.46
LogP ≤ 5	49.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene?

The IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene (CID 158886972) is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene.

What is the SMILES notation for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene?

The canonical SMILES for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene is Brc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(Br)ccc1-2.C=CCCCC1(CCCC=C)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(Br)cc3)cc21.CCCCCCc1cc(CCCCCC)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1.

What is the InChIKey of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene?

The InChIKey is JDTCWMOQDXOHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H88B2O4.C55H62Br2N2.C29H20Br2.C23H24Br2/c1-13-17-21-25-29-45-37-46(30-26-22-18-14-2)40-49(39-45)61(50-41-47(31-27-23-19-15-3)38-48(42-50)32-28-24-20-16-4)55-43-51(62-64-57(5,6)58(7,8)65-62)33-35-53(55)54-36-34-52(44-56(54)61)63-66-59(9,10)60(11,12)67-63;1-5-7-9-11-13-15-37-55(38-16-14-12-10-8-6-2)53-39-49(58(45-25-17-41(3)18-26-45)47-29-21-43(56)22-30-47)33-35-51(53)52-36-34-50(40-54(52)55)59(46-27-19-42(4)20-28-46)48-31-23-44(57)24-32-48;30-23-9-11-25-26-12-10-24(31)16-28(26)29(27(25)15-23,21-7-5-17-1-3-19(17)13-21)22-8-6-18-2-4-20(18)14-22;1-3-5-7-13-23(14-8-6-4-2)21-15-17(24)9-11-19(21)20-12-10-18(25)16-22(20)23/h33-44H,13-32H2,1-12H3;17-36,39-40H,5-16,37-38H2,1-4H3;5-16H,1-4H2;3-4,9-12,15-16H,1-2,5-8,13-14H2.

What are the key properties of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene?

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene has a molecular weight of 2806.46 g/mol, XLogP of 49.64, 54 rotatable bonds, 0 hydrogen bond donors, and 6 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-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene is sourced from PubChem (CID 158886972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).