9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole

C78H56BBr3N2O4 — CID 158091716

IUPAC9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
SMILESBrc1ccc2oc3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3c2c1.Brc1ccc2oc3ccc(Br)cc3c2c1.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)OC1(C)C
InChIInChI=1S/C36H22BrNO.C30H28BNO2.C12H6Br2O/c37-27-16-20-36-32(22-27)31-21-26(15-19-35(31)39-36)25-11-9-23(10-12-25)24-13-17-28(18-14-24)38-33-7-3-1-5-29(33)30-6-2-4-8-34(30)38;1-29(2)30(3,4)34-31(33-29)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32-27-11-7-5-9-25(27)26-10-6-8-12-28(26)32;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-22H;5-20H,1-4H3;1-6H
InChIKeyFOEJIGGCSDNYPV-UHFFFAOYSA-N
MW1335.84 g/mol
LogP22.64
Rot. Bonds6

About 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole

9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole (PubChem CID 158091716) has the molecular formula C78H56BBr3N2O4 and a molecular weight of 1335.84 g/mol. Its IUPAC name is 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
PubChem CID158091716
Molecular FormulaC78H56BBr3N2O4
Molecular Weight1335.84 g/mol
Exact Mass1332.19
IUPAC Name9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
SMILESBrc1ccc2oc3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3c2c1.Brc1ccc2oc3ccc(Br)cc3c2c1.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)OC1(C)C
InChIInChI=1S/C36H22BrNO.C30H28BNO2.C12H6Br2O/c37-27-16-20-36-32(22-27)31-21-26(15-19-35(31)39-36)25-11-9-23(10-12-25)24-13-17-28(18-14-24)38-33-7-3-1-5-29(33)30-6-2-4-8-34(30)38;1-29(2)30(3,4)34-31(33-29)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32-27-11-7-5-9-25(27)26-10-6-8-12-28(26)32;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-22H;5-20H,1-4H3;1-6H
InChIKeyFOEJIGGCSDNYPV-UHFFFAOYSA-N
XLogP22.64
TPSA54.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.84
LogP ≤ 522.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
3-(8-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-phenyl-3-[8-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]carbazole
CID 159896388
4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 167711834
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
3-[9-(3-bromophenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158893263
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;2-bromothioxanthen-9-one;2-(4-carbazol-9-ylphenyl)thioxanthen-9-one;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 160811691
3,6-dibromophenanthrene;1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthren-3-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 161262634
9-(4-bromophenyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 149079009

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole (CID 158091716) is 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole is Brc1ccc2oc3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3c2c1.Brc1ccc2oc3ccc(Br)cc3c2c1.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)OC1(C)C.
What is the InChIKey of 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole?
The InChIKey is FOEJIGGCSDNYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22BrNO.C30H28BNO2.C12H6Br2O/c37-27-16-20-36-32(22-27)31-21-26(15-19-35(31)39-36)25-11-9-23(10-12-25)24-13-17-28(18-14-24)38-33-7-3-1-5-29(33)30-6-2-4-8-34(30)38;1-29(2)30(3,4)34-31(33-29)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32-27-11-7-5-9-25(27)26-10-6-8-12-28(26)32;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-22H;5-20H,1-4H3;1-6H.
What are the key properties of 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole?
9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole has a molecular weight of 1335.84 g/mol, XLogP of 22.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158091716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).