N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine

C62H37NO2S — CID 138476743

IUPACN-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C62H37NO2S/c1-4-18-47-41(15-1)44-35-38(29-32-49(44)61(47)51-20-6-11-25-57(51)65-58-26-12-7-21-52(58)61)63(40-31-34-56-46(37-40)43-17-3-10-24-55(43)64-56)39-30-33-50-45(36-39)42-16-2-5-19-48(42)62(50)53-22-8-13-27-59(53)66-60-28-14-9-23-54(60)62/h1-37H
InChIKeyITJXABSDEVJLLG-UHFFFAOYSA-N
MW860.05 g/mol
LogP16.35
Rot. Bonds3

About N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine

N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 138476743) has the molecular formula C62H37NO2S and a molecular weight of 860.05 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
PubChem CID138476743
Molecular FormulaC62H37NO2S
Molecular Weight860.05 g/mol
Exact Mass859.25
IUPAC NameN-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C62H37NO2S/c1-4-18-47-41(15-1)44-35-38(29-32-49(44)61(47)51-20-6-11-25-57(51)65-58-26-12-7-21-52(58)61)63(40-31-34-56-46(37-40)43-17-3-10-24-55(43)64-56)39-30-33-50-45(36-39)42-16-2-5-19-48(42)62(50)53-22-8-13-27-59(53)66-60-28-14-9-23-54(60)62/h1-37H
InChIKeyITJXABSDEVJLLG-UHFFFAOYSA-N
XLogP16.35
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.05
LogP ≤ 516.35
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
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476806
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476176
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476077
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine
CID 155483400
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476060
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine
CID 166934109

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine (CID 138476743) is N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The InChIKey is ITJXABSDEVJLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NO2S/c1-4-18-47-41(15-1)44-35-38(29-32-49(44)61(47)51-20-6-11-25-57(51)65-58-26-12-7-21-52(58)61)63(40-31-34-56-46(37-40)43-17-3-10-24-55(43)64-56)39-30-33-50-45(36-39)42-16-2-5-19-48(42)62(50)53-22-8-13-27-59(53)66-60-28-14-9-23-54(60)62/h1-37H.
What are the key properties of N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 860.05 g/mol, XLogP of 16.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 138476743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).