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

C61H39NO — CID 176583375

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C61H39NO/c1-2-17-40(18-3-1)41-33-35-42(36-34-41)44-19-7-13-29-56(44)62(57-30-14-8-23-49(57)50-25-16-32-59-60(50)51-24-9-15-31-58(51)63-59)43-37-38-48-47-22-6-12-28-54(47)61(55(48)39-43)52-26-10-4-20-45(52)46-21-5-11-27-53(46)61/h1-39H
InChIKeyKCCDZURYWPKQCU-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.40
Rot. Bonds6

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

N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 176583375) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID176583375
Molecular FormulaC61H39NO
Molecular Weight801.99 g/mol
Exact Mass801.30
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C61H39NO/c1-2-17-40(18-3-1)41-33-35-42(36-34-41)44-19-7-13-29-56(44)62(57-30-14-8-23-49(57)50-25-16-32-59-60(50)51-24-9-15-31-58(51)63-59)43-37-38-48-47-22-6-12-28-54(47)61(55(48)39-43)52-26-10-4-20-45(52)46-21-5-11-27-53(46)61/h1-39H
InChIKeyKCCDZURYWPKQCU-UHFFFAOYSA-N
XLogP16.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N,N-bis(2-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463062
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278
N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298604
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
N-(2-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-3-amine
CID 157361279
N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluoreno[2,3-b][1]benzofuran-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 130462998

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 176583375) is N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is KCCDZURYWPKQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-2-17-40(18-3-1)41-33-35-42(36-34-41)44-19-7-13-29-56(44)62(57-30-14-8-23-49(57)50-25-16-32-59-60(50)51-24-9-15-31-58(51)63-59)43-37-38-48-47-22-6-12-28-54(47)61(55(48)39-43)52-26-10-4-20-45(52)46-21-5-11-27-53(46)61/h1-39H.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 801.99 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 176583375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).