N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine

C49H30N2OS — CID 166849603

IUPACN-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc2c(c1)Nc1ccccc1C21c2ccccc2-c2c(N(c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3)cccc21
InChIInChI=1S/C49H30N2OS/c1-4-15-37-35(14-1)48-40(49(37)38-16-5-7-19-41(38)50-42-20-8-6-17-39(42)49)18-11-21-43(48)51(30-25-27-45-36(28-30)32-12-2-9-22-44(32)52-45)31-24-26-34-33-13-3-10-23-46(33)53-47(34)29-31/h1-29,50H
InChIKeyQNMBSHYVDDEDTG-UHFFFAOYSA-N
MW694.86 g/mol
LogP13.84
Rot. Bonds3

About N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine

N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine (PubChem CID 166849603) has the molecular formula C49H30N2OS and a molecular weight of 694.86 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine
PubChem CID166849603
Molecular FormulaC49H30N2OS
Molecular Weight694.86 g/mol
Exact Mass694.21
IUPAC NameN-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc2c(c1)Nc1ccccc1C21c2ccccc2-c2c(N(c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3)cccc21
InChIInChI=1S/C49H30N2OS/c1-4-15-37-35(14-1)48-40(49(37)38-16-5-7-19-41(38)50-42-20-8-6-17-39(42)49)18-11-21-43(48)51(30-25-27-45-36(28-30)32-12-2-9-22-44(32)52-45)31-24-26-34-33-13-3-10-23-46(33)53-47(34)29-31/h1-29,50H
InChIKeyQNMBSHYVDDEDTG-UHFFFAOYSA-N
XLogP13.84
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.86
LogP ≤ 513.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424656
4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 158402025
N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine
CID 176583237
N-dibenzothiophen-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-3-amine
CID 160729748
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
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine
CID 160753987
N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine
CID 121424663
N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424296
N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 176583218
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 146332998
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-amine
CID 134551310

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine (CID 166849603) is N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine is c1ccc2c(c1)Nc1ccccc1C21c2ccccc2-c2c(N(c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3)cccc21.
What is the InChIKey of N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine?
The InChIKey is QNMBSHYVDDEDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2OS/c1-4-15-37-35(14-1)48-40(49(37)38-16-5-7-19-41(38)50-42-20-8-6-17-39(42)49)18-11-21-43(48)51(30-25-27-45-36(28-30)32-12-2-9-22-44(32)52-45)31-24-26-34-33-13-3-10-23-46(33)53-47(34)29-31/h1-29,50H.
What are the key properties of N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine?
N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine has a molecular weight of 694.86 g/mol, XLogP of 13.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 166849603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).