N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane

C124H160B2Br2N2O10P2 — CID 158348245

About N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane

N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane (PubChem CID 158348245) has the molecular formula C124H160B2Br2N2O10P2 and a molecular weight of 2082.03 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane.

Molecular Properties

• Compound Name: N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane
• PubChem CID: 158348245
• Molecular Formula: C124H160B2Br2N2O10P2
• Molecular Weight: 2082.03 g/mol
• Exact Mass: 2079.01
• IUPAC Name: N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane
• SMILES: Brc1ccc(N(c2ccc(Br)cc2)c2ccc(OCCCOCc3ccco3)cc2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(OCCCOCc5ccco5)cc4)cc3)cc21.PP
• InChI: InChI=1S/C57H69NO3.C41H64B2O4.C26H23Br2NO3.H4P2/c1-5-7-9-11-13-15-36-57(37-16-14-12-10-8-6-2)55-41-45(4)22-34-53(55)54-35-25-47(42-56(54)57)46-23-28-49(29-24-46)58(48-26-20-44(3)21-27-48)50-30-32-51(33-31-50)60-40-18-38-59-43-52-19-17-39-61-52;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;27-20-4-8-22(9-5-20)29(23-10-6-21(28)7-11-23)24-12-14-25(15-13-24)31-18-2-16-30-19-26-3-1-17-32-26;1-2/h17,19-35,39,41-42H,5-16,18,36-38,40,43H2,1-4H3;23-26,29-30H,11-22,27-28H2,1-10H3;1,3-15,17H,2,16,18-19H2;1-2H2
• InChIKey: GRZOWQLXPOMDTK-UHFFFAOYSA-N
• XLogP: 35.75
• TPSA: 106.60 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 51
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.03
LogP ≤ 5	35.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane?

The IUPAC name of N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane (CID 158348245) is N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane.

What is the SMILES notation for N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane?

The canonical SMILES for N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane is Brc1ccc(N(c2ccc(Br)cc2)c2ccc(OCCCOCc3ccco3)cc2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(OCCCOCc5ccco5)cc4)cc3)cc21.PP.

What is the InChIKey of N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane?

The InChIKey is GRZOWQLXPOMDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H69NO3.C41H64B2O4.C26H23Br2NO3.H4P2/c1-5-7-9-11-13-15-36-57(37-16-14-12-10-8-6-2)55-41-45(4)22-34-53(55)54-35-25-47(42-56(54)57)46-23-28-49(29-24-46)58(48-26-20-44(3)21-27-48)50-30-32-51(33-31-50)60-40-18-38-59-43-52-19-17-39-61-52;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;27-20-4-8-22(9-5-20)29(23-10-6-21(28)7-11-23)24-12-14-25(15-13-24)31-18-2-16-30-19-26-3-1-17-32-26;1-2/h17,19-35,39,41-42H,5-16,18,36-38,40,43H2,1-4H3;23-26,29-30H,11-22,27-28H2,1-10H3;1,3-15,17H,2,16,18-19H2;1-2H2.

What are the key properties of N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane?

N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane has a molecular weight of 2082.03 g/mol, XLogP of 35.75, 51 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-bromophenyl)-4-[3-(furan-2-ylmethoxy)propoxy]aniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[3-(furan-2-ylmethoxy)propoxy]phenyl]-4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]aniline;phosphanylphosphane is sourced from PubChem (CID 158348245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).