N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine

C43H27NOS — CID 166934109

IUPACN-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2Sc2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H27NOS/c1-2-13-28(14-3-1)44(29-25-26-40-33(27-29)32-17-6-10-23-39(32)45-40)38-22-12-21-37-42(38)46-41-24-11-9-20-36(41)43(37)34-18-7-4-15-30(34)31-16-5-8-19-35(31)43/h1-27H
InChIKeyQPHNZVYPMHYRIX-UHFFFAOYSA-N
MW605.76 g/mol
LogP11.88
Rot. Bonds3

About N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine

N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine (PubChem CID 166934109) has the molecular formula C43H27NOS and a molecular weight of 605.76 g/mol. Its IUPAC name is N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine
PubChem CID166934109
Molecular FormulaC43H27NOS
Molecular Weight605.76 g/mol
Exact Mass605.18
IUPAC NameN-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2Sc2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H27NOS/c1-2-13-28(14-3-1)44(29-25-26-40-33(27-29)32-17-6-10-23-39(32)45-40)38-22-12-21-37-42(38)46-41-24-11-9-20-36(41)43(37)34-18-7-4-15-30(34)31-16-5-8-19-35(31)43/h1-27H
InChIKeyQPHNZVYPMHYRIX-UHFFFAOYSA-N
XLogP11.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.76
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476743
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 90277788
4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine
CID 169315843
N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine
CID 146720375
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-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-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline
CID 168793800
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476111
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine?
The IUPAC name of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine (CID 166934109) is N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine?
The canonical SMILES for N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2Sc2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine?
The InChIKey is QPHNZVYPMHYRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NOS/c1-2-13-28(14-3-1)44(29-25-26-40-33(27-29)32-17-6-10-23-39(32)45-40)38-22-12-21-37-42(38)46-41-24-11-9-20-36(41)43(37)34-18-7-4-15-30(34)31-16-5-8-19-35(31)43/h1-27H.
What are the key properties of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine?
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine has a molecular weight of 605.76 g/mol, XLogP of 11.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine is sourced from PubChem (CID 166934109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).