dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane

C38H34BBr3Cl2N2O2 — CID 158776848

IUPACdichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane
SMILESBrB(Br)Br.COc1cccc(N(c2ccccc2)c2ccccc2)c1.ClCCl.Oc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H17NO.C18H15NO.CH2Cl2.BBr3/c1-21-19-14-8-13-18(15-19)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17;20-18-13-7-12-17(14-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16;2-1-3;2-1(3)4/h2-15H,1H3;1-14,20H;1H2;
InChIKeyIQOOUPIRJNGXJG-UHFFFAOYSA-N
MW872.13 g/mol
LogP13.60
Rot. Bonds7

About dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane

dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane (PubChem CID 158776848) has the molecular formula C38H34BBr3Cl2N2O2 and a molecular weight of 872.13 g/mol. Its IUPAC name is dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane.

Molecular Properties

Compound Namedichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane
PubChem CID158776848
Molecular FormulaC38H34BBr3Cl2N2O2
Molecular Weight872.13 g/mol
Exact Mass867.96
IUPAC Namedichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane
SMILESBrB(Br)Br.COc1cccc(N(c2ccccc2)c2ccccc2)c1.ClCCl.Oc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H17NO.C18H15NO.CH2Cl2.BBr3/c1-21-19-14-8-13-18(15-19)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17;20-18-13-7-12-17(14-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16;2-1-3;2-1(3)4/h2-15H,1H3;1-14,20H;1H2;
InChIKeyIQOOUPIRJNGXJG-UHFFFAOYSA-N
XLogP13.60
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.13
LogP ≤ 513.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride
CID 159324719
N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline
CID 58939356
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
ethane;3-(N-(4-methylphenyl)anilino)phenol
CID 144899078
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
3-(N-[4-[4-(N-(3-methoxyphenyl)anilino)-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]anilino]phenyl]anilino)benzaldehyde
CID 126595640
3-methoxy-N-[4-[2-[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]ethynyl]phenyl]-N-(3-methoxyphenyl)aniline
CID 18996817
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155

Frequently Asked Questions

What is the IUPAC name of dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane?
The IUPAC name of dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane (CID 158776848) is dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane.
What is the SMILES notation for dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane?
The canonical SMILES for dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane is BrB(Br)Br.COc1cccc(N(c2ccccc2)c2ccccc2)c1.ClCCl.Oc1cccc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane?
The InChIKey is IQOOUPIRJNGXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO.C18H15NO.CH2Cl2.BBr3/c1-21-19-14-8-13-18(15-19)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17;20-18-13-7-12-17(14-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16;2-1-3;2-1(3)4/h2-15H,1H3;1-14,20H;1H2;.
What are the key properties of dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane?
dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane has a molecular weight of 872.13 g/mol, XLogP of 13.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;3-methoxy-N,N-diphenylaniline;3-(N-phenylanilino)phenol;tribromoborane is sourced from PubChem (CID 158776848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).