2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane

C216H235B2Br10N3O4 — CID 157395554

IUPAC2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(CCCCc4ccc(Br)cc4)cc3)nc(-c3ccc(CCCCc4ccc(Br)cc4)cc3)n2)cc1.CC1(C)OB(c2ccc(CCCCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)OC1(C)C.CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(Br)c(C)cc3-c3cc(C)c(Br)cc32)c1.CCCCCCc1ccc(-c2cccc(C3(C)c4ccc(Br)cc4-c4cc(Br)ccc43)c2)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(-c4c(C)cc(Br)cc4C)ccc3-c3ccc(-c4c(C)cc(Br)cc4C)cc32)cc1.CCCCc1ccc(C2(C)c3ccc(Br)cc3-c3cc(Br)ccc32)cc1
InChIInChI=1S/C53H56Br2.C45H45Br2N3.C34H42Br2.C32H30Br2.C28H40B2O4.C24H22Br2/c1-7-9-11-13-15-39-17-23-43(24-18-39)53(44-25-19-40(20-26-44)16-14-12-10-8-2)49-33-41(51-35(3)29-45(54)30-36(51)4)21-27-47(49)48-28-22-42(34-50(48)53)52-37(5)31-46(55)32-38(52)6;1-45(2,3)39-26-24-38(25-27-39)44-49-42(36-20-12-32(13-21-36)8-4-6-10-34-16-28-40(46)29-17-34)48-43(50-44)37-22-14-33(15-23-37)9-5-7-11-35-18-30-41(47)31-19-35;1-6-8-10-12-14-25-18-26(15-13-11-9-7-2)20-27(19-25)34(5)30-21-32(35)23(3)16-28(30)29-17-24(4)33(36)22-31(29)34;1-3-4-5-6-8-22-11-13-23(14-12-22)24-9-7-10-25(19-24)32(2)30-17-15-26(33)20-28(30)29-21-27(34)16-18-31(29)32;1-25(2)26(3,4)32-29(31-25)23-17-13-21(14-18-23)11-9-10-12-22-15-19-24(20-16-22)30-33-27(5,6)28(7,8)34-30;1-3-4-5-16-6-8-17(9-7-16)24(2)22-12-10-18(25)14-20(22)21-15-19(26)11-13-23(21)24/h17-34H,7-16H2,1-6H3;12-31H,4-11H2,1-3H3;16-22H,6-15H2,1-5H3;7,9-21H,3-6,8H2,1-2H3;13-20H,9-12H2,1-8H3;6-15H,3-5H2,1-2H3
InChIKeyBMNJZBLGUBWSQJ-UHFFFAOYSA-N
MW3757.94 g/mol
LogP63.70
Rot. Bonds56

About 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane

2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane (PubChem CID 157395554) has the molecular formula C216H235B2Br10N3O4 and a molecular weight of 3757.94 g/mol. Its IUPAC name is 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane
PubChem CID157395554
Molecular FormulaC216H235B2Br10N3O4
Molecular Weight3757.94 g/mol
Exact Mass3746.03
IUPAC Name2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(CCCCc4ccc(Br)cc4)cc3)nc(-c3ccc(CCCCc4ccc(Br)cc4)cc3)n2)cc1.CC1(C)OB(c2ccc(CCCCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)OC1(C)C.CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(Br)c(C)cc3-c3cc(C)c(Br)cc32)c1.CCCCCCc1ccc(-c2cccc(C3(C)c4ccc(Br)cc4-c4cc(Br)ccc43)c2)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(-c4c(C)cc(Br)cc4C)ccc3-c3ccc(-c4c(C)cc(Br)cc4C)cc32)cc1.CCCCc1ccc(C2(C)c3ccc(Br)cc3-c3cc(Br)ccc32)cc1
InChIInChI=1S/C53H56Br2.C45H45Br2N3.C34H42Br2.C32H30Br2.C28H40B2O4.C24H22Br2/c1-7-9-11-13-15-39-17-23-43(24-18-39)53(44-25-19-40(20-26-44)16-14-12-10-8-2)49-33-41(51-35(3)29-45(54)30-36(51)4)21-27-47(49)48-28-22-42(34-50(48)53)52-37(5)31-46(55)32-38(52)6;1-45(2,3)39-26-24-38(25-27-39)44-49-42(36-20-12-32(13-21-36)8-4-6-10-34-16-28-40(46)29-17-34)48-43(50-44)37-22-14-33(15-23-37)9-5-7-11-35-18-30-41(47)31-19-35;1-6-8-10-12-14-25-18-26(15-13-11-9-7-2)20-27(19-25)34(5)30-21-32(35)23(3)16-28(30)29-17-24(4)33(36)22-31(29)34;1-3-4-5-6-8-22-11-13-23(14-12-22)24-9-7-10-25(19-24)32(2)30-17-15-26(33)20-28(30)29-21-27(34)16-18-31(29)32;1-25(2)26(3,4)32-29(31-25)23-17-13-21(14-18-23)11-9-10-12-22-15-19-24(20-16-22)30-33-27(5,6)28(7,8)34-30;1-3-4-5-16-6-8-17(9-7-16)24(2)22-12-10-18(25)14-20(22)21-15-19(26)11-13-23(21)24/h17-34H,7-16H2,1-6H3;12-31H,4-11H2,1-3H3;16-22H,6-15H2,1-5H3;7,9-21H,3-6,8H2,1-2H3;13-20H,9-12H2,1-8H3;6-15H,3-5H2,1-2H3
InChIKeyBMNJZBLGUBWSQJ-UHFFFAOYSA-N
XLogP63.70
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds56
Heavy Atoms235
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003757.94
LogP ≤ 563.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane (CID 157395554) is 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane is CC(C)(C)c1ccc(-c2nc(-c3ccc(CCCCc4ccc(Br)cc4)cc3)nc(-c3ccc(CCCCc4ccc(Br)cc4)cc3)n2)cc1.CC1(C)OB(c2ccc(CCCCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)OC1(C)C.CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(Br)c(C)cc3-c3cc(C)c(Br)cc32)c1.CCCCCCc1ccc(-c2cccc(C3(C)c4ccc(Br)cc4-c4cc(Br)ccc43)c2)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(-c4c(C)cc(Br)cc4C)ccc3-c3ccc(-c4c(C)cc(Br)cc4C)cc32)cc1.CCCCc1ccc(C2(C)c3ccc(Br)cc3-c3cc(Br)ccc32)cc1.
What is the InChIKey of 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane?
The InChIKey is BMNJZBLGUBWSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H56Br2.C45H45Br2N3.C34H42Br2.C32H30Br2.C28H40B2O4.C24H22Br2/c1-7-9-11-13-15-39-17-23-43(24-18-39)53(44-25-19-40(20-26-44)16-14-12-10-8-2)49-33-41(51-35(3)29-45(54)30-36(51)4)21-27-47(49)48-28-22-42(34-50(48)53)52-37(5)31-46(55)32-38(52)6;1-45(2,3)39-26-24-38(25-27-39)44-49-42(36-20-12-32(13-21-36)8-4-6-10-34-16-28-40(46)29-17-34)48-43(50-44)37-22-14-33(15-23-37)9-5-7-11-35-18-30-41(47)31-19-35;1-6-8-10-12-14-25-18-26(15-13-11-9-7-2)20-27(19-25)34(5)30-21-32(35)23(3)16-28(30)29-17-24(4)33(36)22-31(29)34;1-3-4-5-6-8-22-11-13-23(14-12-22)24-9-7-10-25(19-24)32(2)30-17-15-26(33)20-28(30)29-21-27(34)16-18-31(29)32;1-25(2)26(3,4)32-29(31-25)23-17-13-21(14-18-23)11-9-10-12-22-15-19-24(20-16-22)30-33-27(5,6)28(7,8)34-30;1-3-4-5-16-6-8-17(9-7-16)24(2)22-12-10-18(25)14-20(22)21-15-19(26)11-13-23(21)24/h17-34H,7-16H2,1-6H3;12-31H,4-11H2,1-3H3;16-22H,6-15H2,1-5H3;7,9-21H,3-6,8H2,1-2H3;13-20H,9-12H2,1-8H3;6-15H,3-5H2,1-2H3.
What are the key properties of 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane?
2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane has a molecular weight of 3757.94 g/mol, XLogP of 63.70, 56 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis[4-[4-(4-bromophenyl)butyl]phenyl]-6-(4-tert-butylphenyl)-1,3,5-triazine;3,6-dibromo-9-(4-butylphenyl)-9-methylfluorene;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene;3,6-dibromo-9-[3-(4-hexylphenyl)phenyl]-9-methylfluorene;4,4,5,5-tetramethyl-2-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 157395554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).