4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine

C61H37NO2S — CID 169315843

IUPAC4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine
SMILESc1ccc(-c2ccc3oc4cccc(N(c5cccc6c5Sc5ccccc5C65c6ccccc6-c6ccccc65)c5ccc6c(oc7ccccc76)c5-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C61H37NO2S/c1-3-17-38(18-4-1)40-33-36-54-45(37-40)58-50(28-16-31-55(58)63-54)62(51-35-34-44-43-23-9-13-30-53(43)64-59(44)57(51)39-19-5-2-6-20-39)52-29-15-27-49-60(52)65-56-32-14-12-26-48(56)61(49)46-24-10-7-21-41(46)42-22-8-11-25-47(42)61/h1-37H
InChIKeyPDWATDUPSOKRME-UHFFFAOYSA-N
MW848.04 g/mol
LogP17.12
Rot. Bonds5

About 4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine

4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine (PubChem CID 169315843) has the molecular formula C61H37NO2S and a molecular weight of 848.04 g/mol. Its IUPAC name is 4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine.

Molecular Properties

Compound Name4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine
PubChem CID169315843
Molecular FormulaC61H37NO2S
Molecular Weight848.04 g/mol
Exact Mass847.25
IUPAC Name4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine
SMILESc1ccc(-c2ccc3oc4cccc(N(c5cccc6c5Sc5ccccc5C65c6ccccc6-c6ccccc65)c5ccc6c(oc7ccccc76)c5-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C61H37NO2S/c1-3-17-38(18-4-1)40-33-36-54-45(37-40)58-50(28-16-31-55(58)63-54)62(51-35-34-44-43-23-9-13-30-53(43)64-59(44)57(51)39-19-5-2-6-20-39)52-29-15-27-49-60(52)65-56-32-14-12-26-48(56)61(49)46-24-10-7-21-41(46)42-22-8-11-25-47(42)61/h1-37H
InChIKeyPDWATDUPSOKRME-UHFFFAOYSA-N
XLogP17.12
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.04
LogP ≤ 517.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine
CID 166934109
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 135277386
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476806
3-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-N-phenyl-3-N-(4-phenylphenyl)-6-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3,6-diamine
CID 166958546
N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 169315784
2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran
CID 168799112
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-1-amine
CID 121391790
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325270
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
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine?
The IUPAC name of 4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine (CID 169315843) is 4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine.
What is the SMILES notation for 4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine?
The canonical SMILES for 4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine is c1ccc(-c2ccc3oc4cccc(N(c5cccc6c5Sc5ccccc5C65c6ccccc6-c6ccccc65)c5ccc6c(oc7ccccc76)c5-c5ccccc5)c4c3c2)cc1.
What is the InChIKey of 4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine?
The InChIKey is PDWATDUPSOKRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO2S/c1-3-17-38(18-4-1)40-33-36-54-45(37-40)58-50(28-16-31-55(58)63-54)62(51-35-34-44-43-23-9-13-30-53(43)64-59(44)57(51)39-19-5-2-6-20-39)52-29-15-27-49-60(52)65-56-32-14-12-26-48(56)61(49)46-24-10-7-21-41(46)42-22-8-11-25-47(42)61/h1-37H.
What are the key properties of 4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine?
4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine has a molecular weight of 848.04 g/mol, XLogP of 17.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine is sourced from PubChem (CID 169315843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).