2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine

C55H36N2OS — CID 166960048

IUPAC2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine
SMILESc1ccc(N(c2ccccc2)c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C55H36N2OS/c1-3-19-37(20-4-1)56(38-21-5-2-6-22-38)45-29-12-13-30-46(45)57(48-32-18-36-52-54(48)40-24-8-16-35-51(40)59-52)47-31-17-28-44-53(47)39-23-7-9-25-41(39)55(44)42-26-10-14-33-49(42)58-50-34-15-11-27-43(50)55/h1-36H
InChIKeyIELQWPYTBUYCNL-UHFFFAOYSA-N
MW772.97 g/mol
LogP15.46
Rot. Bonds6

About 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine

2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine (PubChem CID 166960048) has the molecular formula C55H36N2OS and a molecular weight of 772.97 g/mol. Its IUPAC name is 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine
PubChem CID166960048
Molecular FormulaC55H36N2OS
Molecular Weight772.97 g/mol
Exact Mass772.25
IUPAC Name2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine
SMILESc1ccc(N(c2ccccc2)c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C55H36N2OS/c1-3-19-37(20-4-1)56(38-21-5-2-6-22-38)45-29-12-13-30-46(45)57(48-32-18-36-52-54(48)40-24-8-16-35-51(40)59-52)47-31-17-28-44-53(47)39-23-7-9-25-41(39)55(44)42-26-10-14-33-49(42)58-50-34-15-11-27-43(50)55/h1-36H
InChIKeyIELQWPYTBUYCNL-UHFFFAOYSA-N
XLogP15.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.97
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 126538536
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174286860
N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 169305195
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 163884895
4-N-dibenzothiophen-1-yl-2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 167177170
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 162771327
4-N'-dibenzothiophen-1-yl-4-N',5-N,5-N-triphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775519
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 161395935
N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 158190990
CID 155427902
CID 155427902
N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 176583131

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine?
The IUPAC name of 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine (CID 166960048) is 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine?
The canonical SMILES for 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine is c1ccc(N(c2ccccc2)c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine?
The InChIKey is IELQWPYTBUYCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2OS/c1-3-19-37(20-4-1)56(38-21-5-2-6-22-38)45-29-12-13-30-46(45)57(48-32-18-36-52-54(48)40-24-8-16-35-51(40)59-52)47-31-17-28-44-53(47)39-23-7-9-25-41(39)55(44)42-26-10-14-33-49(42)58-50-34-15-11-27-43(50)55/h1-36H.
What are the key properties of 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine?
2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine has a molecular weight of 772.97 g/mol, XLogP of 15.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 166960048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).