9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium

C363H397B6Br9IrN12O12-2 — CID 159184930

IUPAC9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium
SMILESBrc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(Br)ccc1-2.Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2.C=CCCCC1(CCCC=C)c2cc(Br)ccc2-c2ccc(Br)cc21.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]ccc(Br)c4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CC1(C)OB(c2cc(CCCCCc3ccc4c(c3)CC4)c(B3OC(C)(C)C(C)(C)O3)cc2CCCCCc2ccc3c(c2)CC3)OC1(C)C.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)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.Cc1ccc(C2(C)C3=C(C=CC(N(c4ccccc4)c4ccc(Br)cc4)C3)c3ccc(N(c4ccccc4)c4ccc(Br)cc4)cc32)c(C)c1.[Ir]
InChIInChI=1S/C67H86B2N2O4.C61H88B2O4.C46H38Br2N2.C44H60B2O4.C34H32BrN4.C34H33N4.C29H20Br2.C25H16Br2.C23H24Br2.Ir/c1-13-15-17-19-21-23-45-67(46-24-22-20-18-16-14-2)61-47-57(70(53-33-25-49(3)26-34-53)55-37-29-51(30-38-55)68-72-63(5,6)64(7,8)73-68)41-43-59(61)60-44-42-58(48-62(60)67)71(54-35-27-50(4)28-36-54)56-39-31-52(32-40-56)69-74-65(9,10)66(11,12)75-69;1-13-17-21-25-29-45-37-46(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;1-31-14-27-43(32(2)28-31)46(3)44-29-39(49(35-10-6-4-7-11-35)37-19-15-33(47)16-20-37)23-25-41(44)42-26-24-40(30-45(42)46)50(36-12-8-5-9-13-36)38-21-17-34(48)18-22-38;1-41(2)42(3,4)48-45(47-41)39-29-38(18-14-10-12-16-32-20-22-34-24-26-36(34)28-32)40(46-49-43(5,6)44(7,8)50-46)30-37(39)17-13-9-11-15-31-19-21-33-23-25-35(33)27-31;1-33(2,3)26-15-10-22(11-16-26)30-37-31(23-12-17-27(18-13-23)34(4,5)6)39-32(38-30)25-14-19-29(36-21-25)24-8-7-9-28(35)20-24;1-33(2,3)27-17-12-24(13-18-27)30-36-31(25-14-19-28(20-15-25)34(4,5)6)38-32(37-30)26-16-21-29(35-22-26)23-10-8-7-9-11-23;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;26-19-11-13-21-22-14-12-20(27)16-24(22)25(23(21)15-19,17-7-3-1-4-8-17)18-9-5-2-6-10-18;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;/h25-44,47-48H,13-24,45-46H2,1-12H3;33-44H,13-32H2,1-12H3;4-29,40H,30H2,1-3H3;19-22,27-30H,9-18,23-26H2,1-8H3;7,9-21H,1-6H3;7-10,12-22H,1-6H3;5-16H,1-4H2;1-16H;3-4,9-12,15-16H,1-2,5-8,13-14H2;/q;;;;2*-1;;;;
InChIKeyIIMDVDJNZBJSAW-UHFFFAOYSA-N
MW6096.47 g/mol
LogP95.64
Rot. Bonds87

About 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium (PubChem CID 159184930) has the molecular formula C363H397B6Br9IrN12O12-2 and a molecular weight of 6096.47 g/mol. Its IUPAC name is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium.

Molecular Properties

Compound Name9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium
PubChem CID159184930
Molecular FormulaC363H397B6Br9IrN12O12-2
Molecular Weight6096.47 g/mol
Exact Mass6085.37
IUPAC Name9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium
SMILESBrc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(Br)ccc1-2.Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2.C=CCCCC1(CCCC=C)c2cc(Br)ccc2-c2ccc(Br)cc21.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]ccc(Br)c4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CC1(C)OB(c2cc(CCCCCc3ccc4c(c3)CC4)c(B3OC(C)(C)C(C)(C)O3)cc2CCCCCc2ccc3c(c2)CC3)OC1(C)C.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)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.Cc1ccc(C2(C)C3=C(C=CC(N(c4ccccc4)c4ccc(Br)cc4)C3)c3ccc(N(c4ccccc4)c4ccc(Br)cc4)cc32)c(C)c1.[Ir]
InChIInChI=1S/C67H86B2N2O4.C61H88B2O4.C46H38Br2N2.C44H60B2O4.C34H32BrN4.C34H33N4.C29H20Br2.C25H16Br2.C23H24Br2.Ir/c1-13-15-17-19-21-23-45-67(46-24-22-20-18-16-14-2)61-47-57(70(53-33-25-49(3)26-34-53)55-37-29-51(30-38-55)68-72-63(5,6)64(7,8)73-68)41-43-59(61)60-44-42-58(48-62(60)67)71(54-35-27-50(4)28-36-54)56-39-31-52(32-40-56)69-74-65(9,10)66(11,12)75-69;1-13-17-21-25-29-45-37-46(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;1-31-14-27-43(32(2)28-31)46(3)44-29-39(49(35-10-6-4-7-11-35)37-19-15-33(47)16-20-37)23-25-41(44)42-26-24-40(30-45(42)46)50(36-12-8-5-9-13-36)38-21-17-34(48)18-22-38;1-41(2)42(3,4)48-45(47-41)39-29-38(18-14-10-12-16-32-20-22-34-24-26-36(34)28-32)40(46-49-43(5,6)44(7,8)50-46)30-37(39)17-13-9-11-15-31-19-21-33-23-25-35(33)27-31;1-33(2,3)26-15-10-22(11-16-26)30-37-31(23-12-17-27(18-13-23)34(4,5)6)39-32(38-30)25-14-19-29(36-21-25)24-8-7-9-28(35)20-24;1-33(2,3)27-17-12-24(13-18-27)30-36-31(25-14-19-28(20-15-25)34(4,5)6)38-32(37-30)26-16-21-29(35-22-26)23-10-8-7-9-11-23;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;26-19-11-13-21-22-14-12-20(27)16-24(22)25(23(21)15-19,17-7-3-1-4-8-17)18-9-5-2-6-10-18;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;/h25-44,47-48H,13-24,45-46H2,1-12H3;33-44H,13-32H2,1-12H3;4-29,40H,30H2,1-3H3;19-22,27-30H,9-18,23-26H2,1-8H3;7,9-21H,1-6H3;7-10,12-22H,1-6H3;5-16H,1-4H2;1-16H;3-4,9-12,15-16H,1-2,5-8,13-14H2;/q;;;;2*-1;;;;
InChIKeyIIMDVDJNZBJSAW-UHFFFAOYSA-N
XLogP95.64
TPSA226.84 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds87
Heavy Atoms403
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006096.47
LogP ≤ 595.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium with MolForge

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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-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium?
The IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium (CID 159184930) is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium.
What is the SMILES notation for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium?
The canonical SMILES for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium is Brc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(Br)ccc1-2.Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2.C=CCCCC1(CCCC=C)c2cc(Br)ccc2-c2ccc(Br)cc21.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]ccc(Br)c4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CC1(C)OB(c2cc(CCCCCc3ccc4c(c3)CC4)c(B3OC(C)(C)C(C)(C)O3)cc2CCCCCc2ccc3c(c2)CC3)OC1(C)C.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)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.Cc1ccc(C2(C)C3=C(C=CC(N(c4ccccc4)c4ccc(Br)cc4)C3)c3ccc(N(c4ccccc4)c4ccc(Br)cc4)cc32)c(C)c1.[Ir].
What is the InChIKey of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium?
The InChIKey is IIMDVDJNZBJSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H86B2N2O4.C61H88B2O4.C46H38Br2N2.C44H60B2O4.C34H32BrN4.C34H33N4.C29H20Br2.C25H16Br2.C23H24Br2.Ir/c1-13-15-17-19-21-23-45-67(46-24-22-20-18-16-14-2)61-47-57(70(53-33-25-49(3)26-34-53)55-37-29-51(30-38-55)68-72-63(5,6)64(7,8)73-68)41-43-59(61)60-44-42-58(48-62(60)67)71(54-35-27-50(4)28-36-54)56-39-31-52(32-40-56)69-74-65(9,10)66(11,12)75-69;1-13-17-21-25-29-45-37-46(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;1-31-14-27-43(32(2)28-31)46(3)44-29-39(49(35-10-6-4-7-11-35)37-19-15-33(47)16-20-37)23-25-41(44)42-26-24-40(30-45(42)46)50(36-12-8-5-9-13-36)38-21-17-34(48)18-22-38;1-41(2)42(3,4)48-45(47-41)39-29-38(18-14-10-12-16-32-20-22-34-24-26-36(34)28-32)40(46-49-43(5,6)44(7,8)50-46)30-37(39)17-13-9-11-15-31-19-21-33-23-25-35(33)27-31;1-33(2,3)26-15-10-22(11-16-26)30-37-31(23-12-17-27(18-13-23)34(4,5)6)39-32(38-30)25-14-19-29(36-21-25)24-8-7-9-28(35)20-24;1-33(2,3)27-17-12-24(13-18-27)30-36-31(25-14-19-28(20-15-25)34(4,5)6)38-32(37-30)26-16-21-29(35-22-26)23-10-8-7-9-11-23;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;26-19-11-13-21-22-14-12-20(27)16-24(22)25(23(21)15-19,17-7-3-1-4-8-17)18-9-5-2-6-10-18;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;/h25-44,47-48H,13-24,45-46H2,1-12H3;33-44H,13-32H2,1-12H3;4-29,40H,30H2,1-3H3;19-22,27-30H,9-18,23-26H2,1-8H3;7,9-21H,1-6H3;7-10,12-22H,1-6H3;5-16H,1-4H2;1-16H;3-4,9-12,15-16H,1-2,5-8,13-14H2;/q;;;;2*-1;;;;.
What are the key properties of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium?
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium has a molecular weight of 6096.47 g/mol, XLogP of 95.64, 87 rotatable bonds, 0 hydrogen bond donors, and 24 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-[2,5-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-N,7-N-bis(4-bromophenyl)-9-(2,4-dimethylphenyl)-9-methyl-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;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-N,7-N-bis(4-methylphenyl)-9,9-dioctyl-2-N,7-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluorene-2,7-diamine;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-diphenylfluorene;iridium is sourced from PubChem (CID 159184930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).