N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C192H156B3Br4N5O8 — CID 157243440

IUPACN-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESBrc1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc(-c2cccc3c2oc2ccccc23)c1.Brc1cc(Br)cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.CC1(C)OB(c2cccc3c2oc2ccccc23)OC1(C)C
InChIInChI=1S/C48H32BrNO.C36H34BNO2.C36H25Br2N.C30H22BrN.C24H24BNO2.C18H19BO3/c49-40-31-38(30-39(32-40)44-15-9-16-46-45-14-7-8-17-47(45)51-48(44)46)37-20-18-34(19-21-37)36-24-28-43(29-25-36)50(41-12-5-2-6-13-41)42-26-22-35(23-27-42)33-10-3-1-4-11-33;1-35(2)36(3,4)40-37(39-35)31-21-15-28(16-22-31)30-19-25-34(26-20-30)38(32-13-9-6-10-14-32)33-23-17-29(18-24-33)27-11-7-5-8-12-27;37-32-23-31(24-33(38)25-32)30-13-11-27(12-14-30)29-17-21-36(22-18-29)39(34-9-5-2-6-10-34)35-19-15-28(16-20-35)26-7-3-1-4-8-26;31-27-17-11-24(12-18-27)26-15-21-30(22-16-26)32(28-9-5-2-6-10-28)29-19-13-25(14-20-29)23-7-3-1-4-8-23;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;1-17(2)18(3,4)22-19(21-17)14-10-7-9-13-12-8-5-6-11-15(12)20-16(13)14/h1-32H;5-26H,1-4H3;1-25H;1-22H;5-16H,1-4H3;5-11H,1-4H3
InChIKeyAVMBDIVKFULBNE-UHFFFAOYSA-N
MW3013.44 g/mol
LogP53.18
Rot. Bonds27

About N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 157243440) has the molecular formula C192H156B3Br4N5O8 and a molecular weight of 3013.44 g/mol. Its IUPAC name is N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound NameN-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID157243440
Molecular FormulaC192H156B3Br4N5O8
Molecular Weight3013.44 g/mol
Exact Mass3007.90
IUPAC NameN-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESBrc1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc(-c2cccc3c2oc2ccccc23)c1.Brc1cc(Br)cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.CC1(C)OB(c2cccc3c2oc2ccccc23)OC1(C)C
InChIInChI=1S/C48H32BrNO.C36H34BNO2.C36H25Br2N.C30H22BrN.C24H24BNO2.C18H19BO3/c49-40-31-38(30-39(32-40)44-15-9-16-46-45-14-7-8-17-47(45)51-48(44)46)37-20-18-34(19-21-37)36-24-28-43(29-25-36)50(41-12-5-2-6-13-41)42-26-22-35(23-27-42)33-10-3-1-4-11-33;1-35(2)36(3,4)40-37(39-35)31-21-15-28(16-22-31)30-19-25-34(26-20-30)38(32-13-9-6-10-14-32)33-23-17-29(18-24-33)27-11-7-5-8-12-27;37-32-23-31(24-33(38)25-32)30-13-11-27(12-14-30)29-17-21-36(22-18-29)39(34-9-5-2-6-10-34)35-19-15-28(16-20-35)26-7-3-1-4-8-26;31-27-17-11-24(12-18-27)26-15-21-30(22-16-26)32(28-9-5-2-6-10-28)29-19-13-25(14-20-29)23-7-3-1-4-8-23;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;1-17(2)18(3,4)22-19(21-17)14-10-7-9-13-12-8-5-6-11-15(12)20-16(13)14/h1-32H;5-26H,1-4H3;1-25H;1-22H;5-16H,1-4H3;5-11H,1-4H3
InChIKeyAVMBDIVKFULBNE-UHFFFAOYSA-N
XLogP53.18
TPSA99.55 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003013.44
LogP ≤ 553.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 157243440) is N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is Brc1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc(-c2cccc3c2oc2ccccc23)c1.Brc1cc(Br)cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.CC1(C)OB(c2cccc3c2oc2ccccc23)OC1(C)C.
What is the InChIKey of N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is AVMBDIVKFULBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32BrNO.C36H34BNO2.C36H25Br2N.C30H22BrN.C24H24BNO2.C18H19BO3/c49-40-31-38(30-39(32-40)44-15-9-16-46-45-14-7-8-17-47(45)51-48(44)46)37-20-18-34(19-21-37)36-24-28-43(29-25-36)50(41-12-5-2-6-13-41)42-26-22-35(23-27-42)33-10-3-1-4-11-33;1-35(2)36(3,4)40-37(39-35)31-21-15-28(16-22-31)30-19-25-34(26-20-30)38(32-13-9-6-10-14-32)33-23-17-29(18-24-33)27-11-7-5-8-12-27;37-32-23-31(24-33(38)25-32)30-13-11-27(12-14-30)29-17-21-36(22-18-29)39(34-9-5-2-6-10-34)35-19-15-28(16-20-35)26-7-3-1-4-8-26;31-27-17-11-24(12-18-27)26-15-21-30(22-16-26)32(28-9-5-2-6-10-28)29-19-13-25(14-20-29)23-7-3-1-4-8-23;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;1-17(2)18(3,4)22-19(21-17)14-10-7-9-13-12-8-5-6-11-15(12)20-16(13)14/h1-32H;5-26H,1-4H3;1-25H;1-22H;5-16H,1-4H3;5-11H,1-4H3.
What are the key properties of N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 3013.44 g/mol, XLogP of 53.18, 27 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-bromo-5-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(4-bromophenyl)phenyl]-N,4-diphenylaniline;2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-[4-[4-(3,5-dibromophenyl)phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 157243440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).