N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

C68H41NOS2 — CID 138476102

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C68H41NOS2/c1-4-20-52-47(16-1)49-38-36-44(40-58(49)67(52)54-22-6-11-28-62(54)71-63-29-12-7-23-55(63)67)69(43-34-32-42(33-35-43)46-19-15-27-61-66(46)51-18-3-10-26-60(51)70-61)45-37-39-50-48-17-2-5-21-53(48)68(59(50)41-45)56-24-8-13-30-64(56)72-65-31-14-9-25-57(65)68/h1-41H
InChIKeyMJGFGSIKRVUVLH-UHFFFAOYSA-N
MW952.22 g/mol
LogP18.38
Rot. Bonds4

About N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 138476102) has the molecular formula C68H41NOS2 and a molecular weight of 952.22 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
PubChem CID138476102
Molecular FormulaC68H41NOS2
Molecular Weight952.22 g/mol
Exact Mass951.26
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C68H41NOS2/c1-4-20-52-47(16-1)49-38-36-44(40-58(49)67(52)54-22-6-11-28-62(54)71-63-29-12-7-23-55(63)67)69(43-34-32-42(33-35-43)46-19-15-27-61-66(46)51-18-3-10-26-60(51)70-61)45-37-39-50-48-17-2-5-21-53(48)68(59(50)41-45)56-24-8-13-30-64(56)72-65-31-14-9-25-57(65)68/h1-41H
InChIKeyMJGFGSIKRVUVLH-UHFFFAOYSA-N
XLogP18.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.22
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476993
N-(4-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168807492
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-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline
CID 168793800
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476111
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477512
N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309204
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176643

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (CID 138476102) is N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The InChIKey is MJGFGSIKRVUVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41NOS2/c1-4-20-52-47(16-1)49-38-36-44(40-58(49)67(52)54-22-6-11-28-62(54)71-63-29-12-7-23-55(63)67)69(43-34-32-42(33-35-43)46-19-15-27-61-66(46)51-18-3-10-26-60(51)70-61)45-37-39-50-48-17-2-5-21-53(48)68(59(50)41-45)56-24-8-13-30-64(56)72-65-31-14-9-25-57(65)68/h1-41H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine has a molecular weight of 952.22 g/mol, XLogP of 18.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 138476102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).