N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

C61H37NOS — CID 176583131

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3sc4ccccc4c23)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C61H37NOS/c1-8-27-47-38(18-1)39-19-2-9-28-48(39)61(47)49-29-10-3-22-44(49)60-50(61)30-17-33-53(60)62(51-31-11-4-20-40(51)42-25-15-35-55-58(42)45-23-6-13-34-54(45)63-55)52-32-12-5-21-41(52)43-26-16-37-57-59(43)46-24-7-14-36-56(46)64-57/h1-37H
InChIKeyUORQZBUFHZJCMD-UHFFFAOYSA-N
MW832.04 g/mol
LogP17.10
Rot. Bonds5

About N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 176583131) has the molecular formula C61H37NOS and a molecular weight of 832.04 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID176583131
Molecular FormulaC61H37NOS
Molecular Weight832.04 g/mol
Exact Mass831.26
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3sc4ccccc4c23)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C61H37NOS/c1-8-27-47-38(18-1)39-19-2-9-28-48(39)61(47)49-29-10-3-22-44(49)60-50(61)30-17-33-53(60)62(51-31-11-4-20-40(51)42-25-15-35-55-58(42)45-23-6-13-34-54(45)63-55)52-32-12-5-21-41(52)43-26-16-37-57-59(43)46-24-7-14-36-56(46)64-57/h1-37H
InChIKeyUORQZBUFHZJCMD-UHFFFAOYSA-N
XLogP17.10
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.04
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176583162
N-(2-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308861
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278
N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 176583218
N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine
CID 176583237
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-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158436441
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-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine
CID 121424663
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 126538536
N-(2-dibenzothiophen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 176583430
N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 176583314

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 176583131) is N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is c1ccc(N(c2ccccc2-c2cccc3sc4ccccc4c23)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is UORQZBUFHZJCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NOS/c1-8-27-47-38(18-1)39-19-2-9-28-48(39)61(47)49-29-10-3-22-44(49)60-50(61)30-17-33-53(60)62(51-31-11-4-20-40(51)42-25-15-35-55-58(42)45-23-6-13-34-54(45)63-55)52-32-12-5-21-41(52)43-26-16-37-57-59(43)46-24-7-14-36-56(46)64-57/h1-37H.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 832.04 g/mol, XLogP of 17.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 176583131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).