N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine

C67H39NOS2 — CID 155005149

IUPACN-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2cccc3oc4c5c(ccc4c23)C2(c3ccccc3-c3ccccc32)c2ccccc2-5)c1
InChIInChI=1S/C67H39NOS2/c1-7-25-52-45(19-1)46-20-2-8-26-53(46)67(52)54-27-9-3-22-48(54)64-55(67)36-35-50-65-57(29-15-30-58(65)69-66(50)64)68(42-17-13-16-40(38-42)44-24-14-33-62-63(44)49-23-6-12-32-60(49)71-62)56-28-10-4-18-43(56)41-34-37-61-51(39-41)47-21-5-11-31-59(47)70-61/h1-39H
InChIKeyVRINZRHUPCWAIA-UHFFFAOYSA-N
MW938.19 g/mol
LogP19.47
Rot. Bonds5

About N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine

N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine (PubChem CID 155005149) has the molecular formula C67H39NOS2 and a molecular weight of 938.19 g/mol. Its IUPAC name is N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine
PubChem CID155005149
Molecular FormulaC67H39NOS2
Molecular Weight938.19 g/mol
Exact Mass937.25
IUPAC NameN-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2cccc3oc4c5c(ccc4c23)C2(c3ccccc3-c3ccccc32)c2ccccc2-5)c1
InChIInChI=1S/C67H39NOS2/c1-7-25-52-45(19-1)46-20-2-8-26-53(46)67(52)54-27-9-3-22-48(54)64-55(67)36-35-50-65-57(29-15-30-58(65)69-66(50)64)68(42-17-13-16-40(38-42)44-24-14-33-62-63(44)49-23-6-12-32-60(49)71-62)56-28-10-4-18-43(56)41-34-37-61-51(39-41)47-21-5-11-31-59(47)70-61/h1-39H
InChIKeyVRINZRHUPCWAIA-UHFFFAOYSA-N
XLogP19.47
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.19
LogP ≤ 519.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine with MolForge

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Related Compounds

N-(2-phenylphenyl)-N-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-1-amine
CID 130463327
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 162771327
N-(2-phenylphenyl)-N-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-1-amine
CID 130463288
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177911
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738238
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738717
N-(3-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308853
N-(3-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186779
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424208
N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118298589
N,N-bis(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 161119301
N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738819

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine?
The IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine (CID 155005149) is N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine.
What is the SMILES notation for N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine?
The canonical SMILES for N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine is c1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2cccc3oc4c5c(ccc4c23)C2(c3ccccc3-c3ccccc32)c2ccccc2-5)c1.
What is the InChIKey of N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine?
The InChIKey is VRINZRHUPCWAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H39NOS2/c1-7-25-52-45(19-1)46-20-2-8-26-53(46)67(52)54-27-9-3-22-48(54)64-55(67)36-35-50-65-57(29-15-30-58(65)69-66(50)64)68(42-17-13-16-40(38-42)44-24-14-33-62-63(44)49-23-6-12-32-60(49)71-62)56-28-10-4-18-43(56)41-34-37-61-51(39-41)47-21-5-11-31-59(47)70-61/h1-39H.
What are the key properties of N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine?
N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine has a molecular weight of 938.19 g/mol, XLogP of 19.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4'-amine is sourced from PubChem (CID 155005149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).