N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine

C55H33NOS — CID 176583237

IUPACN-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2cccc3sc4ccccc4c23)c1[2H]
InChIInChI=1S/C55H33NOS/c1-7-22-43-35(15-1)36-16-2-8-23-44(36)55(43)45-24-9-3-19-40(45)54-46(55)25-14-27-48(54)56(34-31-32-50-42(33-34)38-18-5-11-28-49(38)57-50)47-26-10-4-17-37(47)39-21-13-30-52-53(39)41-20-6-12-29-51(41)58-52/h1-33H/i4D,10D,17D,26D
InChIKeyCRKGOEAOTMCSSM-JOMNMHDTSA-N
MW759.97 g/mol
LogP15.43
Rot. Bonds4

About N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine

N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine (PubChem CID 176583237) has the molecular formula C55H33NOS and a molecular weight of 759.97 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine
PubChem CID176583237
Molecular FormulaC55H33NOS
Molecular Weight759.97 g/mol
Exact Mass759.25
IUPAC NameN-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2cccc3sc4ccccc4c23)c1[2H]
InChIInChI=1S/C55H33NOS/c1-7-22-43-35(15-1)36-16-2-8-23-44(36)55(43)45-24-9-3-19-40(45)54-46(55)25-14-27-48(54)56(34-31-32-50-42(33-34)38-18-5-11-28-49(38)57-50)47-26-10-4-17-37(47)39-21-13-30-52-53(39)41-20-6-12-29-51(41)58-52/h1-33H/i4D,10D,17D,26D
InChIKeyCRKGOEAOTMCSSM-JOMNMHDTSA-N
XLogP15.43
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.97
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 176583218
N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 176583131
N-(2-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308861
N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine
CID 121424663
N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine
CID 166849603
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
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-(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-(2-dibenzothiophen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 176583430
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-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424485
N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424296

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine (CID 176583237) is N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine is [2H]c1c([2H])c([2H])c(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2cccc3sc4ccccc4c23)c1[2H].
What is the InChIKey of N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine?
The InChIKey is CRKGOEAOTMCSSM-JOMNMHDTSA-N. The full InChI is InChI=1S/C55H33NOS/c1-7-22-43-35(15-1)36-16-2-8-23-44(36)55(43)45-24-9-3-19-40(45)54-46(55)25-14-27-48(54)56(34-31-32-50-42(33-34)38-18-5-11-28-49(38)57-50)47-26-10-4-17-37(47)39-21-13-30-52-53(39)41-20-6-12-29-51(41)58-52/h1-33H/i4D,10D,17D,26D.
What are the key properties of N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine?
N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine has a molecular weight of 759.97 g/mol, XLogP of 15.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176583237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).