N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine

C53H33NOS — CID 156563659

IUPACN-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C53H33NOS/c1-2-12-34(13-3-1)35-22-25-37(26-23-35)54(39-27-29-42-41-16-6-9-19-48(41)55-49(42)33-39)38-28-30-43-47(32-38)53(46-31-24-36-14-4-5-15-40(36)52(43)46)44-17-7-10-20-50(44)56-51-21-11-8-18-45(51)53/h1-33H
InChIKeyYOBNXCHIGAVWGG-UHFFFAOYSA-N
MW731.92 g/mol
LogP14.70
Rot. Bonds4

About N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine

N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine (PubChem CID 156563659) has the molecular formula C53H33NOS and a molecular weight of 731.92 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
PubChem CID156563659
Molecular FormulaC53H33NOS
Molecular Weight731.92 g/mol
Exact Mass731.23
IUPAC NameN-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C53H33NOS/c1-2-12-34(13-3-1)35-22-25-37(26-23-35)54(39-27-29-42-41-16-6-9-19-48(41)55-49(42)33-39)38-28-30-43-47(32-38)53(46-31-24-36-14-4-5-15-40(36)52(43)46)44-17-7-10-20-50(44)56-51-21-11-8-18-45(51)53/h1-33H
InChIKeyYOBNXCHIGAVWGG-UHFFFAOYSA-N
XLogP14.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.92
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
CID 164730880
N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 164730931
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164730810
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-dibenzothiophen-2-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-2-amine;N-dibenzothiophen-3-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine
CID 164992700
N-phenyl-N-(4-phenylphenyl)-8-spiro[benzo[g]fluorene-7,9'-fluorene]-9-yldibenzofuran-2-amine
CID 135299719
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-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730958
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193952

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine (CID 156563659) is N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine?
The InChIKey is YOBNXCHIGAVWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NOS/c1-2-12-34(13-3-1)35-22-25-37(26-23-35)54(39-27-29-42-41-16-6-9-19-48(41)55-49(42)33-39)38-28-30-43-47(32-38)53(46-31-24-36-14-4-5-15-40(36)52(43)46)44-17-7-10-20-50(44)56-51-21-11-8-18-45(51)53/h1-33H.
What are the key properties of N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine?
N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine has a molecular weight of 731.92 g/mol, XLogP of 14.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine is sourced from PubChem (CID 156563659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).