potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine

C81H60BrKN2O2 — CID 158202465

IUPACpotassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESBrc1ccc2c(c1)oc1ccccc12.C.Nc1cccc(-c2cccc(-c3cccc(-c4cccc5ccccc45)c3)c2)c1.[H-].[K+].c1cc(Nc2ccc3c(c2)oc2ccccc23)cc(-c2cccc(-c3cccc(-c4cccc5ccccc45)c3)c2)c1
InChIInChI=1S/C40H27NO.C28H21N.C12H7BrO.CH4.K.H/c1-2-17-35-27(9-1)10-8-19-36(35)32-15-6-13-30(24-32)28-11-5-12-29(23-28)31-14-7-16-33(25-31)41-34-21-22-38-37-18-3-4-20-39(37)42-40(38)26-34;29-26-14-5-12-24(19-26)22-10-3-9-21(17-22)23-11-4-13-25(18-23)28-16-6-8-20-7-1-2-15-27(20)28;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;;;/h1-26,41H;1-19H,29H2;1-7H;1H4;;/q;;;;+1;-1
InChIKeyAZDCDEASABXOGO-UHFFFAOYSA-N
MW1212.39 g/mol
LogP21.01
Rot. Bonds8

About potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine

potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 158202465) has the molecular formula C81H60BrKN2O2 and a molecular weight of 1212.39 g/mol. Its IUPAC name is potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound Namepotassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID158202465
Molecular FormulaC81H60BrKN2O2
Molecular Weight1212.39 g/mol
Exact Mass1210.35
IUPAC Namepotassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESBrc1ccc2c(c1)oc1ccccc12.C.Nc1cccc(-c2cccc(-c3cccc(-c4cccc5ccccc45)c3)c2)c1.[H-].[K+].c1cc(Nc2ccc3c(c2)oc2ccccc23)cc(-c2cccc(-c3cccc(-c4cccc5ccccc45)c3)c2)c1
InChIInChI=1S/C40H27NO.C28H21N.C12H7BrO.CH4.K.H/c1-2-17-35-27(9-1)10-8-19-36(35)32-15-6-13-30(24-32)28-11-5-12-29(23-28)31-14-7-16-33(25-31)41-34-21-22-38-37-18-3-4-20-39(37)42-40(38)26-34;29-26-14-5-12-24(19-26)22-10-3-9-21(17-22)23-11-4-13-25(18-23)28-16-6-8-20-7-1-2-15-27(20)28;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;;;/h1-26,41H;1-19H,29H2;1-7H;1H4;;/q;;;;+1;-1
InChIKeyAZDCDEASABXOGO-UHFFFAOYSA-N
XLogP21.01
TPSA64.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.39
LogP ≤ 521.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine
CID 169315832
N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775546
N-(3-naphthalen-1-ylphenyl)-4-phenyldibenzofuran-1-amine
CID 172544792
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119
N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775445
N,9-diphenyldibenzofuran-3-amine
CID 156790002
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 118534074
N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-4-phenylaniline;N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 158669625
N-(4-dibenzofuran-3-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 159589004
3-(4-naphthalen-1-ylphenyl)aniline
CID 154675291
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
N-[3-[8-(3-fluorophenyl)naphthalen-1-yl]phenyl]dibenzofuran-2-amine
CID 171763443

Frequently Asked Questions

What is the IUPAC name of potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine (CID 158202465) is potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine is Brc1ccc2c(c1)oc1ccccc12.C.Nc1cccc(-c2cccc(-c3cccc(-c4cccc5ccccc45)c3)c2)c1.[H-].[K+].c1cc(Nc2ccc3c(c2)oc2ccccc23)cc(-c2cccc(-c3cccc(-c4cccc5ccccc45)c3)c2)c1.
What is the InChIKey of potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is AZDCDEASABXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO.C28H21N.C12H7BrO.CH4.K.H/c1-2-17-35-27(9-1)10-8-19-36(35)32-15-6-13-30(24-32)28-11-5-12-29(23-28)31-14-7-16-33(25-31)41-34-21-22-38-37-18-3-4-20-39(37)42-40(38)26-34;29-26-14-5-12-24(19-26)22-10-3-9-21(17-22)23-11-4-13-25(18-23)28-16-6-8-20-7-1-2-15-27(20)28;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;;;/h1-26,41H;1-19H,29H2;1-7H;1H4;;/q;;;;+1;-1.
What are the key properties of potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 1212.39 g/mol, XLogP of 21.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 158202465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).