2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran

C61H40OS — CID 166877793

IUPAC2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccccc2C(Cc2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccc4ccccc4c2-3)cc1
InChIInChI=1S/C61H40OS/c1-2-14-41(15-3-1)45-17-6-7-19-47(45)50(36-39-26-28-40(29-27-39)43-32-35-57-51(37-43)48-20-8-11-23-56(48)62-57)44-30-33-49-55(38-44)61(54-34-31-42-16-4-5-18-46(42)60(49)54)52-21-9-12-24-58(52)63-59-25-13-10-22-53(59)61/h1-35,37-38,50H,36H2
InChIKeyPRNAAMGUUSEKQV-UHFFFAOYSA-N
MW821.06 g/mol
LogP16.28
Rot. Bonds6

About 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran

2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran (PubChem CID 166877793) has the molecular formula C61H40OS and a molecular weight of 821.06 g/mol. Its IUPAC name is 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran
PubChem CID166877793
Molecular FormulaC61H40OS
Molecular Weight821.06 g/mol
Exact Mass820.28
IUPAC Name2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccccc2C(Cc2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccc4ccccc4c2-3)cc1
InChIInChI=1S/C61H40OS/c1-2-14-41(15-3-1)45-17-6-7-19-47(45)50(36-39-26-28-40(29-27-39)43-32-35-57-51(37-43)48-20-8-11-23-56(48)62-57)44-30-33-49-55(38-44)61(54-34-31-42-16-4-5-18-46(42)60(49)54)52-21-9-12-24-58(52)63-59-25-13-10-22-53(59)61/h1-35,37-38,50H,36H2
InChIKeyPRNAAMGUUSEKQV-UHFFFAOYSA-N
XLogP16.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.06
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 156563659
N-phenyl-N-(4-phenylphenyl)-8-spiro[benzo[g]fluorene-7,9'-fluorene]-9-yldibenzofuran-2-amine
CID 135299719
2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran
CID 142294412
N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
CID 164730880
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164730810
N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 164730931
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-thioxanthene]-2'-yl-1,3,5-triazine
CID 147749545
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-7-yl-1,3,5-triazine
CID 167340541
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline
CID 168793800
3-[1-dibenzofuran-3-yl-2-[3-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]ethyl]dibenzofuran
CID 163812058
7,7-dimethyl-9-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene;6-phenyl-16-(10-phenylanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;6,6,12,12-tetramethyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene
CID 158585976
2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran
CID 168799112

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran?
The IUPAC name of 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran (CID 166877793) is 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran?
The canonical SMILES for 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran is c1ccc(-c2ccccc2C(Cc2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccc4ccccc4c2-3)cc1.
What is the InChIKey of 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran?
The InChIKey is PRNAAMGUUSEKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40OS/c1-2-14-41(15-3-1)45-17-6-7-19-47(45)50(36-39-26-28-40(29-27-39)43-32-35-57-51(37-43)48-20-8-11-23-56(48)62-57)44-30-33-49-55(38-44)61(54-34-31-42-16-4-5-18-46(42)60(49)54)52-21-9-12-24-58(52)63-59-25-13-10-22-53(59)61/h1-35,37-38,50H,36H2.
What are the key properties of 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran?
2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran has a molecular weight of 821.06 g/mol, XLogP of 16.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran is sourced from PubChem (CID 166877793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).