magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide

C119H93Br2MgN3O7 — CID 158606667

IUPACmagnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide
SMILESC.C.C1CCOC1.CC1(O)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc21.O=C1c2ccccc2-c2ccc(Br)cc21.O=C1c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc21.[Br-].[CH3-].[Mg+2].c1ccc(-c2cccc(Nc3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C38H27NO2.C37H23NO2.C24H17NO.C13H7BrO.C4H8O.2CH4.CH3.BrH.Mg/c1-38(40)33-18-7-5-15-29(33)30-22-21-28(24-34(30)38)39(27-14-9-13-26(23-27)25-11-3-2-4-12-25)35-19-10-17-32-31-16-6-8-20-36(31)41-37(32)35;39-36-31-16-5-4-14-28(31)29-21-20-27(23-33(29)36)38(26-13-8-12-25(22-26)24-10-2-1-3-11-24)34-18-9-17-32-30-15-6-7-19-35(30)40-37(32)34;1-2-8-17(9-3-1)18-10-6-11-19(16-18)25-22-14-7-13-21-20-12-4-5-15-23(20)26-24(21)22;14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8;1-2-4-5-3-1;;;;;/h2-24,40H,1H3;1-23H;1-16,25H;1-7H;1-4H2;2*1H4;1H3;1H;/q;;;;;;;-1;;+2/p-1
InChIKeyIAFYTEAKTNTRLF-UHFFFAOYSA-M
MW1861.18 g/mol
LogP29.69
Rot. Bonds11

About magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide

magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide (PubChem CID 158606667) has the molecular formula C119H93Br2MgN3O7 and a molecular weight of 1861.18 g/mol. Its IUPAC name is magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide.

Molecular Properties

Compound Namemagnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide
PubChem CID158606667
Molecular FormulaC119H93Br2MgN3O7
Molecular Weight1861.18 g/mol
Exact Mass1857.52
IUPAC Namemagnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide
SMILESC.C.C1CCOC1.CC1(O)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc21.O=C1c2ccccc2-c2ccc(Br)cc21.O=C1c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc21.[Br-].[CH3-].[Mg+2].c1ccc(-c2cccc(Nc3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C38H27NO2.C37H23NO2.C24H17NO.C13H7BrO.C4H8O.2CH4.CH3.BrH.Mg/c1-38(40)33-18-7-5-15-29(33)30-22-21-28(24-34(30)38)39(27-14-9-13-26(23-27)25-11-3-2-4-12-25)35-19-10-17-32-31-16-6-8-20-36(31)41-37(32)35;39-36-31-16-5-4-14-28(31)29-21-20-27(23-33(29)36)38(26-13-8-12-25(22-26)24-10-2-1-3-11-24)34-18-9-17-32-30-15-6-7-19-35(30)40-37(32)34;1-2-8-17(9-3-1)18-10-6-11-19(16-18)25-22-14-7-13-21-20-12-4-5-15-23(20)26-24(21)22;14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8;1-2-4-5-3-1;;;;;/h2-24,40H,1H3;1-23H;1-16,25H;1-7H;1-4H2;2*1H4;1H3;1H;/q;;;;;;;-1;;+2/p-1
InChIKeyIAFYTEAKTNTRLF-UHFFFAOYSA-M
XLogP29.69
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001861.18
LogP ≤ 529.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yldibenzofuran-4-amine
CID 159624894
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)fluoren-2-amine;methane;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-4-amine
CID 162207264
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-[3-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139554045
N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167177472
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-1-amine;9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;1-iodonaphtho[1,2-b][1]benzofuran;methane
CID 158252661
4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline
CID 159673043
N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 177080188
N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540

Frequently Asked Questions

What is the IUPAC name of magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide?
The IUPAC name of magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide (CID 158606667) is magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide.
What is the SMILES notation for magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide?
The canonical SMILES for magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide is C.C.C1CCOC1.CC1(O)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc21.O=C1c2ccccc2-c2ccc(Br)cc21.O=C1c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc21.[Br-].[CH3-].[Mg+2].c1ccc(-c2cccc(Nc3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide?
The InChIKey is IAFYTEAKTNTRLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C38H27NO2.C37H23NO2.C24H17NO.C13H7BrO.C4H8O.2CH4.CH3.BrH.Mg/c1-38(40)33-18-7-5-15-29(33)30-22-21-28(24-34(30)38)39(27-14-9-13-26(23-27)25-11-3-2-4-12-25)35-19-10-17-32-31-16-6-8-20-36(31)41-37(32)35;39-36-31-16-5-4-14-28(31)29-21-20-27(23-33(29)36)38(26-13-8-12-25(22-26)24-10-2-1-3-11-24)34-18-9-17-32-30-15-6-7-19-35(30)40-37(32)34;1-2-8-17(9-3-1)18-10-6-11-19(16-18)25-22-14-7-13-21-20-12-4-5-15-23(20)26-24(21)22;14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8;1-2-4-5-3-1;;;;;/h2-24,40H,1H3;1-23H;1-16,25H;1-7H;1-4H2;2*1H4;1H3;1H;/q;;;;;;;-1;;+2/p-1.
What are the key properties of magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide?
magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide has a molecular weight of 1861.18 g/mol, XLogP of 29.69, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide is sourced from PubChem (CID 158606667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).