9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine

C58H39NOS — CID 162771521

IUPAC9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C58H39NOS/c1-57(2)45-23-9-6-19-38(45)40-32-31-37(33-49(40)57)59(36-17-4-3-5-18-36)51-27-13-8-21-41(51)42-22-16-30-54-56(42)44-34-43-39-20-7-10-24-46(39)58(50(43)35-55(44)61-54)47-25-11-14-28-52(47)60-53-29-15-12-26-48(53)58/h3-35H,1-2H3
InChIKeyBOPFQFHQMXDHAJ-UHFFFAOYSA-N
MW798.02 g/mol
LogP15.97
Rot. Bonds4

About 9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine (PubChem CID 162771521) has the molecular formula C58H39NOS and a molecular weight of 798.02 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine
PubChem CID162771521
Molecular FormulaC58H39NOS
Molecular Weight798.02 g/mol
Exact Mass797.28
IUPAC Name9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C58H39NOS/c1-57(2)45-23-9-6-19-38(45)40-32-31-37(33-49(40)57)59(36-17-4-3-5-18-36)51-27-13-8-21-41(51)42-22-16-30-54-56(42)44-34-43-39-20-7-10-24-46(39)58(50(43)35-55(44)61-54)47-25-11-14-28-52(47)60-53-29-15-12-26-48(53)58/h3-35H,1-2H3
InChIKeyBOPFQFHQMXDHAJ-UHFFFAOYSA-N
XLogP15.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.02
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771384
N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 163884895
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90154222
N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771338
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(2-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 164983589
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463375
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463448
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(2-phenylphenyl)-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 158254894
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138476291
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine (CID 162771521) is 9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc4sc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine?
The InChIKey is BOPFQFHQMXDHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NOS/c1-57(2)45-23-9-6-19-38(45)40-32-31-37(33-49(40)57)59(36-17-4-3-5-18-36)51-27-13-8-21-41(51)42-22-16-30-54-56(42)44-34-43-39-20-7-10-24-46(39)58(50(43)35-55(44)61-54)47-25-11-14-28-52(47)60-53-29-15-12-26-48(53)58/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine has a molecular weight of 798.02 g/mol, XLogP of 15.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 162771521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).