2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine

C345H399B6N9O6 — CID 159503415

IUPAC2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine
SMILESCC(C)c1cc(C(C)C)c(B2c3ccc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)cc3Oc3cc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccc(N4c5ccc(C(C)C)cc5C(C)(C)c5cc(C(C)C)ccc54)cc3Oc3cc(N4c5ccc(C(C)C)cc5C(C)(C)c5cc(C(C)C)ccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccc(C(C)C)cc5C(C)(C)c5cc(C(C)C)ccc54)ccc32)c(C(C)C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)Oc1cc(N3c4ccc(C)cc4C(C)(C)c4cc(C)ccc43)ccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)Oc1ccccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C73H89BN2O.C69H81BN2O.C61H65BN2O.C50H60BNO.C48H56BNO.C44H48BNO/c1-43(2)46-35-53(44(3)4)67(54(36-46)45(5)6)74-59-29-27-51(75-61-31-23-47(68(7,8)9)37-55(61)72(19,20)56-38-48(69(10,11)12)24-32-62(56)75)41-65(59)77-66-42-52(28-30-60(66)74)76-63-33-25-49(70(13,14)15)39-57(63)73(21,22)58-40-50(71(16,17)18)26-34-64(58)76;1-39(2)46-19-27-61-55(33-46)68(15,16)56-34-47(40(3)4)20-28-62(56)71(61)51-23-25-59-65(37-51)73-66-38-52(24-26-60(66)70(59)67-53(44(11)12)31-50(43(9)10)32-54(67)45(13)14)72-63-29-21-48(41(5)6)35-57(63)69(17,18)58-36-49(42(7)8)22-30-64(58)72;1-35(2)42-31-45(36(3)4)59(46(32-42)37(5)6)62-51-21-19-43(63-53-23-15-38(7)27-47(53)60(11,12)48-28-39(8)16-24-54(48)63)33-57(51)65-58-34-44(20-22-52(58)62)64-55-25-17-40(9)29-49(55)61(13,14)50-30-41(10)18-26-56(50)64;1-30(2)33-25-37(31(3)4)47(38(26-33)32(5)6)51-41-17-15-16-18-45(41)53-46-29-36(21-22-42(46)51)52-43-23-19-34(48(7,8)9)27-39(43)50(13,14)40-28-35(49(10,11)12)20-24-44(40)52;1-28(2)33-17-21-43-39(25-33)48(11,12)40-26-34(29(3)4)18-22-44(40)50(43)36-19-20-42-46(27-36)51-45-16-14-13-15-41(45)49(42)47-37(31(7)8)23-35(30(5)6)24-38(47)32(9)10;1-26(2)31-23-33(27(3)4)43(34(24-31)28(5)6)45-37-13-11-12-14-41(37)47-42-25-32(17-18-38(42)45)46-39-19-15-29(7)21-35(39)44(9,10)36-22-30(8)16-20-40(36)46/h23-45H,1-22H3;19-45H,1-18H3;15-37H,1-14H3;15-32H,1-14H3;13-32H,1-12H3;11-28H,1-10H3
InChIKeyLZRFQIAEPDFYNS-UHFFFAOYSA-N
MW4832.92 g/mol
LogP87.43
Rot. Bonds39

About 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine

2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine (PubChem CID 159503415) has the molecular formula C345H399B6N9O6 and a molecular weight of 4832.92 g/mol. Its IUPAC name is 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine.

Molecular Properties

Compound Name2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine
PubChem CID159503415
Molecular FormulaC345H399B6N9O6
Molecular Weight4832.92 g/mol
Exact Mass4830.18
IUPAC Name2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine
SMILESCC(C)c1cc(C(C)C)c(B2c3ccc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)cc3Oc3cc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccc(N4c5ccc(C(C)C)cc5C(C)(C)c5cc(C(C)C)ccc54)cc3Oc3cc(N4c5ccc(C(C)C)cc5C(C)(C)c5cc(C(C)C)ccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccc(C(C)C)cc5C(C)(C)c5cc(C(C)C)ccc54)ccc32)c(C(C)C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)Oc1cc(N3c4ccc(C)cc4C(C)(C)c4cc(C)ccc43)ccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)Oc1ccccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C73H89BN2O.C69H81BN2O.C61H65BN2O.C50H60BNO.C48H56BNO.C44H48BNO/c1-43(2)46-35-53(44(3)4)67(54(36-46)45(5)6)74-59-29-27-51(75-61-31-23-47(68(7,8)9)37-55(61)72(19,20)56-38-48(69(10,11)12)24-32-62(56)75)41-65(59)77-66-42-52(28-30-60(66)74)76-63-33-25-49(70(13,14)15)39-57(63)73(21,22)58-40-50(71(16,17)18)26-34-64(58)76;1-39(2)46-19-27-61-55(33-46)68(15,16)56-34-47(40(3)4)20-28-62(56)71(61)51-23-25-59-65(37-51)73-66-38-52(24-26-60(66)70(59)67-53(44(11)12)31-50(43(9)10)32-54(67)45(13)14)72-63-29-21-48(41(5)6)35-57(63)69(17,18)58-36-49(42(7)8)22-30-64(58)72;1-35(2)42-31-45(36(3)4)59(46(32-42)37(5)6)62-51-21-19-43(63-53-23-15-38(7)27-47(53)60(11,12)48-28-39(8)16-24-54(48)63)33-57(51)65-58-34-44(20-22-52(58)62)64-55-25-17-40(9)29-49(55)61(13,14)50-30-41(10)18-26-56(50)64;1-30(2)33-25-37(31(3)4)47(38(26-33)32(5)6)51-41-17-15-16-18-45(41)53-46-29-36(21-22-42(46)51)52-43-23-19-34(48(7,8)9)27-39(43)50(13,14)40-28-35(49(10,11)12)20-24-44(40)52;1-28(2)33-17-21-43-39(25-33)48(11,12)40-26-34(29(3)4)18-22-44(40)50(43)36-19-20-42-46(27-36)51-45-16-14-13-15-41(45)49(42)47-37(31(7)8)23-35(30(5)6)24-38(47)32(9)10;1-26(2)31-23-33(27(3)4)43(34(24-31)28(5)6)45-37-13-11-12-14-41(37)47-42-25-32(17-18-38(42)45)46-39-19-15-29(7)21-35(39)44(9,10)36-22-30(8)16-20-40(36)46/h23-45H,1-22H3;19-45H,1-18H3;15-37H,1-14H3;15-32H,1-14H3;13-32H,1-12H3;11-28H,1-10H3
InChIKeyLZRFQIAEPDFYNS-UHFFFAOYSA-N
XLogP87.43
TPSA84.54 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds39
Heavy Atoms366
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004832.92
LogP ≤ 587.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine with MolForge

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Related Compounds

9,9-bis(2,4,6-trimethylphenyl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7-dimethyl-9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-(9,9-diphenylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-diphenylacridine;9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine
CID 158446999
2',7'-dimethyl-10-phenyl-10'-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]-9,9'-spirobi[acridine]
CID 153437555
2,8-dimethyl-10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]benzo[b][1,4]benzazasiline
CID 140835322
2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 140835443
10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]
CID 140835374
10-[8-(9',9'-dimethylspiro[acridine-9,10'-anthracene]-10-yl)-5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9',9'-dimethylspiro[acridine-9,10'-anthracene]
CID 140835467
5-phenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]phenazine
CID 140728552
10-[10-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-3-(2,7-dimethylspiro[acridine-9,9'-fluorene]-10-yl)benzo[b][1,4]benzoxaborinin-7-yl]-2,7-dimethylspiro[acridine-9,9'-fluorene];10-[10-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-3-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)benzo[b][1,4]benzoxaborinin-7-yl]-2,7-dimethylspiro[acridine-9,9'-xanthene];3-(9-phenylcarbazol-3-yl)-9-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]carbazole
CID 161363559
1,3,6,8-tetramethyl-9-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]carbazole
CID 122379695
10'-pyridin-3-yl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]-9,9'-spirobi[acridine]
CID 153437570
5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine
CID 163595332
9-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]carbazole
CID 140728726

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine?
The IUPAC name of 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine (CID 159503415) is 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine.
What is the SMILES notation for 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine?
The canonical SMILES for 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine is CC(C)c1cc(C(C)C)c(B2c3ccc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)cc3Oc3cc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccc(N4c5ccc(C(C)C)cc5C(C)(C)c5cc(C(C)C)ccc54)cc3Oc3cc(N4c5ccc(C(C)C)cc5C(C)(C)c5cc(C(C)C)ccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccc(C(C)(C)C)cc5C(C)(C)c5cc(C(C)(C)C)ccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccc(C(C)C)cc5C(C)(C)c5cc(C(C)C)ccc54)ccc32)c(C(C)C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)Oc1cc(N3c4ccc(C)cc4C(C)(C)c4cc(C)ccc43)ccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)Oc1ccccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine?
The InChIKey is LZRFQIAEPDFYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H89BN2O.C69H81BN2O.C61H65BN2O.C50H60BNO.C48H56BNO.C44H48BNO/c1-43(2)46-35-53(44(3)4)67(54(36-46)45(5)6)74-59-29-27-51(75-61-31-23-47(68(7,8)9)37-55(61)72(19,20)56-38-48(69(10,11)12)24-32-62(56)75)41-65(59)77-66-42-52(28-30-60(66)74)76-63-33-25-49(70(13,14)15)39-57(63)73(21,22)58-40-50(71(16,17)18)26-34-64(58)76;1-39(2)46-19-27-61-55(33-46)68(15,16)56-34-47(40(3)4)20-28-62(56)71(61)51-23-25-59-65(37-51)73-66-38-52(24-26-60(66)70(59)67-53(44(11)12)31-50(43(9)10)32-54(67)45(13)14)72-63-29-21-48(41(5)6)35-57(63)69(17,18)58-36-49(42(7)8)22-30-64(58)72;1-35(2)42-31-45(36(3)4)59(46(32-42)37(5)6)62-51-21-19-43(63-53-23-15-38(7)27-47(53)60(11,12)48-28-39(8)16-24-54(48)63)33-57(51)65-58-34-44(20-22-52(58)62)64-55-25-17-40(9)29-49(55)61(13,14)50-30-41(10)18-26-56(50)64;1-30(2)33-25-37(31(3)4)47(38(26-33)32(5)6)51-41-17-15-16-18-45(41)53-46-29-36(21-22-42(46)51)52-43-23-19-34(48(7,8)9)27-39(43)50(13,14)40-28-35(49(10,11)12)20-24-44(40)52;1-28(2)33-17-21-43-39(25-33)48(11,12)40-26-34(29(3)4)18-22-44(40)50(43)36-19-20-42-46(27-36)51-45-16-14-13-15-41(45)49(42)47-37(31(7)8)23-35(30(5)6)24-38(47)32(9)10;1-26(2)31-23-33(27(3)4)43(34(24-31)28(5)6)45-37-13-11-12-14-41(37)47-42-25-32(17-18-38(42)45)46-39-19-15-29(7)21-35(39)44(9,10)36-22-30(8)16-20-40(36)46/h23-45H,1-22H3;19-45H,1-18H3;15-37H,1-14H3;15-32H,1-14H3;13-32H,1-12H3;11-28H,1-10H3.
What are the key properties of 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine?
2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine has a molecular weight of 4832.92 g/mol, XLogP of 87.43, 39 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-10-[3-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethylacridine;2,7-ditert-butyl-9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-[9,9-dimethyl-2,7-di(propan-2-yl)acridin-10-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-dimethyl-2,7-di(propan-2-yl)acridine;9,9-dimethyl-2,7-di(propan-2-yl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7,9,9-tetramethyl-10-[3-(2,7,9,9-tetramethylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]acridine;2,7,9,9-tetramethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine is sourced from PubChem (CID 159503415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).