2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]

C89H108B2Br6O10 — CID 158700493

IUPAC2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cc(Br)ccc2-c2ccc(Br)cc21.C.C.CCCCCCCCC1(CCCCCCCC)c2cc(B3OCCCO3)ccc2-c2ccc(B3OCCCO3)cc21.COCCOCCOCCC1(CCOCCOCCOC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C35H52B2O4.C27H36Br2O6.C25H12Br4.2CH4/c1-3-5-7-9-11-13-21-35(22-14-12-10-8-6-4-2)33-27-29(36-38-23-15-24-39-36)17-19-31(33)32-20-18-30(28-34(32)35)37-40-25-16-26-41-37;1-30-11-13-34-17-15-32-9-7-27(8-10-33-16-18-35-14-12-31-2)25-19-21(28)3-5-23(25)24-6-4-22(29)20-26(24)27;26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25;;/h17-20,27-28H,3-16,21-26H2,1-2H3;3-6,19-20H,7-18H2,1-2H3;1-12H;2*1H4
InChIKeyIHMDYWUWFHCPPI-UHFFFAOYSA-N
MW1838.88 g/mol
LogP23.69
Rot. Bonds34

About 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]

2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene] (PubChem CID 158700493) has the molecular formula C89H108B2Br6O10 and a molecular weight of 1838.88 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]
PubChem CID158700493
Molecular FormulaC89H108B2Br6O10
Molecular Weight1838.88 g/mol
Exact Mass1832.32
IUPAC Name2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cc(Br)ccc2-c2ccc(Br)cc21.C.C.CCCCCCCCC1(CCCCCCCC)c2cc(B3OCCCO3)ccc2-c2ccc(B3OCCCO3)cc21.COCCOCCOCCC1(CCOCCOCCOC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C35H52B2O4.C27H36Br2O6.C25H12Br4.2CH4/c1-3-5-7-9-11-13-21-35(22-14-12-10-8-6-4-2)33-27-29(36-38-23-15-24-39-36)17-19-31(33)32-20-18-30(28-34(32)35)37-40-25-16-26-41-37;1-30-11-13-34-17-15-32-9-7-27(8-10-33-16-18-35-14-12-31-2)25-19-21(28)3-5-23(25)24-6-4-22(29)20-26(24)27;26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25;;/h17-20,27-28H,3-16,21-26H2,1-2H3;3-6,19-20H,7-18H2,1-2H3;1-12H;2*1H4
InChIKeyIHMDYWUWFHCPPI-UHFFFAOYSA-N
XLogP23.69
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds34
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001838.88
LogP ≤ 523.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane
CID 3591168
2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
CID 58473533
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102153044
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
2,8-dibromo-6,6,12,12-tetrakis[2-(2-ethoxyethoxy)ethyl]indeno[1,2-b]fluorene
CID 67476758
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745
2-bromo-9,9-dihexylfluorene
CID 18674600
2,5-bis[5-(5-bromothiophen-2-yl)thiophen-2-yl]-3,4-dihexylthiophene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborolane
CID 161059339
2,7-bis(4-bromo-2-methylphenyl)-9,9-dihexylfluorene
CID 155761603
CID 59561089
CID 59561089

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]?
The IUPAC name of 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene] (CID 158700493) is 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene] is Brc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cc(Br)ccc2-c2ccc(Br)cc21.C.C.CCCCCCCCC1(CCCCCCCC)c2cc(B3OCCCO3)ccc2-c2ccc(B3OCCCO3)cc21.COCCOCCOCCC1(CCOCCOCCOC)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]?
The InChIKey is IHMDYWUWFHCPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52B2O4.C27H36Br2O6.C25H12Br4.2CH4/c1-3-5-7-9-11-13-21-35(22-14-12-10-8-6-4-2)33-27-29(36-38-23-15-24-39-36)17-19-31(33)32-20-18-30(28-34(32)35)37-40-25-16-26-41-37;1-30-11-13-34-17-15-32-9-7-27(8-10-33-16-18-35-14-12-31-2)25-19-21(28)3-5-23(25)24-6-4-22(29)20-26(24)27;26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25;;/h17-20,27-28H,3-16,21-26H2,1-2H3;3-6,19-20H,7-18H2,1-2H3;1-12H;2*1H4.
What are the key properties of 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]?
2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene] has a molecular weight of 1838.88 g/mol, XLogP of 23.69, 34 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluorene;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;methane;2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene] is sourced from PubChem (CID 158700493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).