2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline

C108H70BBr3N8O4 — CID 158637922

IUPAC2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline
SMILESBrc1ccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc1.Brc1ccc(Br)cc1.OB(O)c1ccc2oc3ccccc3c2c1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C36H22N2O.C24H15BrN2.C18H12N2.C12H9BO3.C12H8N2.C6H4Br2/c1-2-6-24(7-3-1)31-19-16-26-14-15-27-17-20-32(38-36(27)35(26)37-31)25-12-10-23(11-13-25)28-18-21-34-30(22-28)29-8-4-5-9-33(29)39-34;25-20-12-8-17(9-13-20)22-15-11-19-7-6-18-10-14-21(16-4-2-1-3-5-16)26-23(18)24(19)27-22;1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16;14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-5-1-2-6(8)4-3-5/h1-22H;1-15H;1-12H;1-7,14-15H;1-8H;1-4H
InChIKeyHZZSNIUFGGEQJU-UHFFFAOYSA-N
MW1794.32 g/mol
LogP28.27
Rot. Bonds7

About 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline

2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline (PubChem CID 158637922) has the molecular formula C108H70BBr3N8O4 and a molecular weight of 1794.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline
PubChem CID158637922
Molecular FormulaC108H70BBr3N8O4
Molecular Weight1794.32 g/mol
Exact Mass1790.32
IUPAC Name2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline
SMILESBrc1ccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc1.Brc1ccc(Br)cc1.OB(O)c1ccc2oc3ccccc3c2c1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C36H22N2O.C24H15BrN2.C18H12N2.C12H9BO3.C12H8N2.C6H4Br2/c1-2-6-24(7-3-1)31-19-16-26-14-15-27-17-20-32(38-36(27)35(26)37-31)25-12-10-23(11-13-25)28-18-21-34-30(22-28)29-8-4-5-9-33(29)39-34;25-20-12-8-17(9-13-20)22-15-11-19-7-6-18-10-14-21(16-4-2-1-3-5-16)26-23(18)24(19)27-22;1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16;14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-5-1-2-6(8)4-3-5/h1-22H;1-15H;1-12H;1-7,14-15H;1-8H;1-4H
InChIKeyHZZSNIUFGGEQJU-UHFFFAOYSA-N
XLogP28.27
TPSA169.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001794.32
LogP ≤ 528.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline with MolForge

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Related Compounds

2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
2-[4-[6-[3,5-bis(3-dibenzofuran-2-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 123640065
2,9-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050213
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134410345
2-(4-bromophenyl)-1,10-phenanthroline
CID 160537986
(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid
CID 67422872
2-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 118503436
6-[3,5-bis(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;methane;(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)boronic acid;1,3,5-tribromobenzene
CID 161452379
6-[3,5-bis(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)boronic acid;1,3,5-tribromobenzene
CID 160506198
2-dibenzofuran-2-yl-9-(4-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 90049891
(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
CID 168908514

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline (CID 158637922) is 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline is Brc1ccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc1.Brc1ccc(Br)cc1.OB(O)c1ccc2oc3ccccc3c2c1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline?
The InChIKey is HZZSNIUFGGEQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O.C24H15BrN2.C18H12N2.C12H9BO3.C12H8N2.C6H4Br2/c1-2-6-24(7-3-1)31-19-16-26-14-15-27-17-20-32(38-36(27)35(26)37-31)25-12-10-23(11-13-25)28-18-21-34-30(22-28)29-8-4-5-9-33(29)39-34;25-20-12-8-17(9-13-20)22-15-11-19-7-6-18-10-14-21(16-4-2-1-3-5-16)26-23(18)24(19)27-22;1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16;14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-5-1-2-6(8)4-3-5/h1-22H;1-15H;1-12H;1-7,14-15H;1-8H;1-4H.
What are the key properties of 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline?
2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline has a molecular weight of 1794.32 g/mol, XLogP of 28.27, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline is sourced from PubChem (CID 158637922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).