3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]

C62H41NS — CID 139353933

IUPAC3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C62H41NS/c1-3-15-41(16-4-1)42-27-31-44(32-28-42)61(45-33-29-43(30-34-45)46-36-38-60-52(39-46)50-20-8-14-26-59(50)64-60)47-35-37-54-51(40-47)49-19-7-9-21-53(49)62(54)55-22-10-12-24-57(55)63(48-17-5-2-6-18-48)58-25-13-11-23-56(58)62/h1-40,61H
InChIKeyFYLOWDQYVUBXJR-UHFFFAOYSA-N
MW832.08 g/mol
LogP16.72
Rot. Bonds6

About 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]

3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 139353933) has the molecular formula C62H41NS and a molecular weight of 832.08 g/mol. Its IUPAC name is 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID139353933
Molecular FormulaC62H41NS
Molecular Weight832.08 g/mol
Exact Mass831.30
IUPAC Name3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C62H41NS/c1-3-15-41(16-4-1)42-27-31-44(32-28-42)61(45-33-29-43(30-34-45)46-36-38-60-52(39-46)50-20-8-14-26-59(50)64-60)47-35-37-54-51(40-47)49-19-7-9-21-53(49)62(54)55-22-10-12-24-57(55)63(48-17-5-2-6-18-48)58-25-13-11-23-56(58)62/h1-40,61H
InChIKeyFYLOWDQYVUBXJR-UHFFFAOYSA-N
XLogP16.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.08
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene] with MolForge

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309283
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 135166696
2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003881
N-(2-dibenzothiophen-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-3'-amine
CID 167176269
N-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine;N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 160663458
N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166688
10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
CID 118465174
N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309219
7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene
CID 163455091
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918

Frequently Asked Questions

What is the IUPAC name of 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 139353933) is 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc(C(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is FYLOWDQYVUBXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NS/c1-3-15-41(16-4-1)42-27-31-44(32-28-42)61(45-33-29-43(30-34-45)46-36-38-60-52(39-46)50-20-8-14-26-59(50)64-60)47-35-37-54-51(40-47)49-19-7-9-21-53(49)62(54)55-22-10-12-24-57(55)63(48-17-5-2-6-18-48)58-25-13-11-23-56(58)62/h1-40,61H.
What are the key properties of 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]?
3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 832.08 g/mol, XLogP of 16.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 139353933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).