N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine

C56H37NOS — CID 164730931

IUPACN-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C56H37NOS/c1-55(2)44-17-7-5-15-39(44)40-27-24-35(31-48(40)55)57(37-25-28-42-41-16-6-10-20-50(41)58-51(42)33-37)36-26-29-43-49(32-36)56(47-30-23-34-13-3-4-14-38(34)54(43)47)45-18-8-11-21-52(45)59-53-22-12-9-19-46(53)56/h3-33H,1-2H3
InChIKeyILZOKWGIJOKKAG-UHFFFAOYSA-N
MW771.99 g/mol
LogP15.34
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine (PubChem CID 164730931) has the molecular formula C56H37NOS and a molecular weight of 771.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
PubChem CID164730931
Molecular FormulaC56H37NOS
Molecular Weight771.99 g/mol
Exact Mass771.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C56H37NOS/c1-55(2)44-17-7-5-15-39(44)40-27-24-35(31-48(40)55)57(37-25-28-42-41-16-6-10-20-50(41)58-51(42)33-37)36-26-29-43-49(32-36)56(47-30-23-34-13-3-4-14-38(34)54(43)47)45-18-8-11-21-52(45)59-53-22-12-9-19-46(53)56/h3-33H,1-2H3
InChIKeyILZOKWGIJOKKAG-UHFFFAOYSA-N
XLogP15.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.99
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 156563659
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164730839
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
8-N,22-N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-8-N,22-N-diphenyl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 159152626
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-(9,9-dimethylfluoren-2-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzofuran-3-amine
CID 138568679
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-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229710
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 156563559
N-chrysen-5-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 170140140

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine (CID 164730931) is N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)oc3ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine?
The InChIKey is ILZOKWGIJOKKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NOS/c1-55(2)44-17-7-5-15-39(44)40-27-24-35(31-48(40)55)57(37-25-28-42-41-16-6-10-20-50(41)58-51(42)33-37)36-26-29-43-49(32-36)56(47-30-23-34-13-3-4-14-38(34)54(43)47)45-18-8-11-21-52(45)59-53-22-12-9-19-46(53)56/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine has a molecular weight of 771.99 g/mol, XLogP of 15.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine is sourced from PubChem (CID 164730931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).