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

C241H225B4N5O4 — CID 158446999

IUPAC9,9-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
SMILESCC(C)c1cc(C(C)C)c(B2c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3Oc3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1.Cc1cc(C)c(C2(c3c(C)cc(C)cc3C)c3ccccc3N(c3ccc4c(c3)Oc3ccccc3B4c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3ccccc32)c(C)c1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)Oc1ccccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C77H65BN2O.C58H60BNO.C54H52BNO.C52H48BNO/c1-51(2)54-47-61(52(3)4)75(62(48-54)53(5)6)78-67-45-43-59(79-69-39-23-19-35-63(69)76(55-27-11-7-12-28-55,56-29-13-8-14-30-56)64-36-20-24-40-70(64)79)49-73(67)81-74-50-60(44-46-68(74)78)80-71-41-25-21-37-65(71)77(57-31-15-9-16-32-57,58-33-17-10-18-34-58)66-38-22-26-42-72(66)80;1-34(2)43-31-45(35(3)4)57(46(32-43)36(5)6)59-49-21-15-18-24-53(49)61-54-33-44(25-26-50(54)59)60-51-22-16-13-19-47(51)58(48-20-14-17-23-52(48)60,55-39(9)27-37(7)28-40(55)10)56-41(11)29-38(8)30-42(56)12;1-34(2)39-31-43(35(3)4)53(44(32-39)36(5)6)55-47-21-15-16-22-51(47)57-52-33-42(25-26-48(52)55)56-49-27-23-37(7)29-45(49)54(40-17-11-9-12-18-40,41-19-13-10-14-20-41)46-30-38(8)24-28-50(46)56;1-34(2)37-31-41(35(3)4)51(42(32-37)36(5)6)53-45-25-15-18-28-49(45)55-50-33-40(29-30-46(50)53)54-47-26-16-13-23-43(47)52(38-19-9-7-10-20-38,39-21-11-8-12-22-39)44-24-14-17-27-48(44)54/h7-53H,1-6H3;13-36H,1-12H3;9-36H,1-8H3;7-36H,1-6H3
InChIKeyHDMZAEXYTLBIDN-UHFFFAOYSA-N
MW3298.73 g/mol
LogP56.01
Rot. Bonds31

About 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

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 (PubChem CID 158446999) has the molecular formula C241H225B4N5O4 and a molecular weight of 3298.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID158446999
Molecular FormulaC241H225B4N5O4
Molecular Weight3298.73 g/mol
Exact Mass3296.79
IUPAC Name9,9-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
SMILESCC(C)c1cc(C(C)C)c(B2c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3Oc3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1.Cc1cc(C)c(C2(c3c(C)cc(C)cc3C)c3ccccc3N(c3ccc4c(c3)Oc3ccccc3B4c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3ccccc32)c(C)c1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)Oc1ccccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C77H65BN2O.C58H60BNO.C54H52BNO.C52H48BNO/c1-51(2)54-47-61(52(3)4)75(62(48-54)53(5)6)78-67-45-43-59(79-69-39-23-19-35-63(69)76(55-27-11-7-12-28-55,56-29-13-8-14-30-56)64-36-20-24-40-70(64)79)49-73(67)81-74-50-60(44-46-68(74)78)80-71-41-25-21-37-65(71)77(57-31-15-9-16-32-57,58-33-17-10-18-34-58)66-38-22-26-42-72(66)80;1-34(2)43-31-45(35(3)4)57(46(32-43)36(5)6)59-49-21-15-18-24-53(49)61-54-33-44(25-26-50(54)59)60-51-22-16-13-19-47(51)58(48-20-14-17-23-52(48)60,55-39(9)27-37(7)28-40(55)10)56-41(11)29-38(8)30-42(56)12;1-34(2)39-31-43(35(3)4)53(44(32-39)36(5)6)55-47-21-15-16-22-51(47)57-52-33-42(25-26-48(52)55)56-49-27-23-37(7)29-45(49)54(40-17-11-9-12-18-40,41-19-13-10-14-20-41)46-30-38(8)24-28-50(46)56;1-34(2)37-31-41(35(3)4)51(42(32-37)36(5)6)53-45-25-15-18-28-49(45)55-50-33-40(29-30-46(50)53)54-47-26-16-13-23-43(47)52(38-19-9-7-10-20-38,39-21-11-8-12-22-39)44-24-14-17-27-48(44)54/h7-53H,1-6H3;13-36H,1-12H3;9-36H,1-8H3;7-36H,1-6H3
InChIKeyHDMZAEXYTLBIDN-UHFFFAOYSA-N
XLogP56.01
TPSA53.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds31
Heavy Atoms254
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003298.73
LogP ≤ 556.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(C)C)c(B2c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3Oc3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1.Cc1cc(C)c(C2(c3c(C)cc(C)cc3C)c3ccccc3N(c3ccc4c(c3)Oc3ccccc3B4c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3ccccc32)c(C)c1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)Oc1ccccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 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?
The InChIKey is HDMZAEXYTLBIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H65BN2O.C58H60BNO.C54H52BNO.C52H48BNO/c1-51(2)54-47-61(52(3)4)75(62(48-54)53(5)6)78-67-45-43-59(79-69-39-23-19-35-63(69)76(55-27-11-7-12-28-55,56-29-13-8-14-30-56)64-36-20-24-40-70(64)79)49-73(67)81-74-50-60(44-46-68(74)78)80-71-41-25-21-37-65(71)77(57-31-15-9-16-32-57,58-33-17-10-18-34-58)66-38-22-26-42-72(66)80;1-34(2)43-31-45(35(3)4)57(46(32-43)36(5)6)59-49-21-15-18-24-53(49)61-54-33-44(25-26-50(54)59)60-51-22-16-13-19-47(51)58(48-20-14-17-23-52(48)60,55-39(9)27-37(7)28-40(55)10)56-41(11)29-38(8)30-42(56)12;1-34(2)39-31-43(35(3)4)53(44(32-39)36(5)6)55-47-21-15-16-22-51(47)57-52-33-42(25-26-48(52)55)56-49-27-23-37(7)29-45(49)54(40-17-11-9-12-18-40,41-19-13-10-14-20-41)46-30-38(8)24-28-50(46)56;1-34(2)37-31-41(35(3)4)51(42(32-37)36(5)6)53-45-25-15-18-28-49(45)55-50-33-40(29-30-46(50)53)54-47-26-16-13-23-43(47)52(38-19-9-7-10-20-38,39-21-11-8-12-22-39)44-24-14-17-27-48(44)54/h7-53H,1-6H3;13-36H,1-12H3;9-36H,1-8H3;7-36H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 3298.73 g/mol, XLogP of 56.01, 31 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158446999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).