N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine

C43H27NO2S — CID 146720375

IUPACN-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3Sc3ccccc32)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C43H27NO2S/c1-2-13-28(14-3-1)44(35-19-12-22-39-42(35)30-15-4-8-20-36(30)45-39)29-25-26-38-34(27-29)43(31-16-5-9-21-37(31)46-38)32-17-6-10-23-40(32)47-41-24-11-7-18-33(41)43/h1-27H
InChIKeyRETZYLJUZBVAAF-UHFFFAOYSA-N
MW621.76 g/mol
LogP12.01
Rot. Bonds3

About N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine

N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine (PubChem CID 146720375) has the molecular formula C43H27NO2S and a molecular weight of 621.76 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine
PubChem CID146720375
Molecular FormulaC43H27NO2S
Molecular Weight621.76 g/mol
Exact Mass621.18
IUPAC NameN-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3Sc3ccccc32)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C43H27NO2S/c1-2-13-28(14-3-1)44(35-19-12-22-39-42(35)30-15-4-8-20-36(30)45-39)29-25-26-38-34(27-29)43(31-16-5-9-21-37(31)46-38)32-17-6-10-23-40(32)47-41-24-11-7-18-33(41)43/h1-27H
InChIKeyRETZYLJUZBVAAF-UHFFFAOYSA-N
XLogP12.01
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.76
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476111
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
CID 166960062
N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 169315784
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine
CID 166934109
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N,N-bis(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[thioxanthene-9,9'-xanthene]-2-amine;N-phenyl-N-(7-phenyldibenzofuran-3-yl)spiro[thioxanthene-9,9'-xanthene]-2-amine
CID 161220439
1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine
CID 155483351
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476743
2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174286785

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine (CID 146720375) is N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3Sc3ccccc32)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine?
The InChIKey is RETZYLJUZBVAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO2S/c1-2-13-28(14-3-1)44(35-19-12-22-39-42(35)30-15-4-8-20-36(30)45-39)29-25-26-38-34(27-29)43(31-16-5-9-21-37(31)46-38)32-17-6-10-23-40(32)47-41-24-11-7-18-33(41)43/h1-27H.
What are the key properties of N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine?
N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine has a molecular weight of 621.76 g/mol, XLogP of 12.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 146720375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).