N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine

C61H40N2S — CID 135166688

IUPACN-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C61H40N2S/c1-3-19-41(20-4-1)45-23-7-8-24-46(45)49-26-10-15-31-56(49)62(43-36-38-60-51(39-43)50-27-11-18-34-59(50)64-60)44-35-37-48-47-25-9-12-28-52(47)61(55(48)40-44)53-29-13-16-32-57(53)63(42-21-5-2-6-22-42)58-33-17-14-30-54(58)61/h1-40H
InChIKeyADPJSPMGLGXEAE-UHFFFAOYSA-N
MW833.07 g/mol
LogP17.00
Rot. Bonds6

About N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine

N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 135166688) has the molecular formula C61H40N2S and a molecular weight of 833.07 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
PubChem CID135166688
Molecular FormulaC61H40N2S
Molecular Weight833.07 g/mol
Exact Mass832.29
IUPAC NameN-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C61H40N2S/c1-3-19-41(20-4-1)45-23-7-8-24-46(45)49-26-10-15-31-56(49)62(43-36-38-60-51(39-43)50-27-11-18-34-59(50)64-60)44-35-37-48-47-25-9-12-28-52(47)61(55(48)40-44)53-29-13-16-32-57(53)63(42-21-5-2-6-22-42)58-33-17-14-30-54(58)61/h1-40H
InChIKeyADPJSPMGLGXEAE-UHFFFAOYSA-N
XLogP17.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.07
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309219
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 135166696
N-dibenzothiophen-2-yl-1,5,13-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750862
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
N-naphthalen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166670
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-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N-[2-(2-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-N-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 159270785
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166724
N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 135166717
N-(2-dibenzothiophen-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-3'-amine
CID 167176269

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
The IUPAC name of N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine (CID 135166688) is N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
The InChIKey is ADPJSPMGLGXEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2S/c1-3-19-41(20-4-1)45-23-7-8-24-46(45)49-26-10-15-31-56(49)62(43-36-38-60-51(39-43)50-27-11-18-34-59(50)64-60)44-35-37-48-47-25-9-12-28-52(47)61(55(48)40-44)53-29-13-16-32-57(53)63(42-21-5-2-6-22-42)58-33-17-14-30-54(58)61/h1-40H.
What are the key properties of N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 833.07 g/mol, XLogP of 17.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 135166688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).