N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine

C63H39NO2 — CID 169022095

IUPACN-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
SMILESCC1(c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3oc3ccccc34)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C63H39NO2/c1-62(50-25-9-2-17-40(50)41-18-3-10-26-51(41)62)56-37-39(35-49-47-23-8-15-32-59(47)65-60(49)56)64(57-30-16-24-48-46-22-7-14-31-58(46)66-61(48)57)38-33-34-45-44-21-6-13-29-54(44)63(55(45)36-38)52-27-11-4-19-42(52)43-20-5-12-28-53(43)63/h2-37H,1H3
InChIKeyNMGRWVRSLSUKKY-UHFFFAOYSA-N
MW842.01 g/mol
LogP16.63
Rot. Bonds4

About N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine

N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine (PubChem CID 169022095) has the molecular formula C63H39NO2 and a molecular weight of 842.01 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
PubChem CID169022095
Molecular FormulaC63H39NO2
Molecular Weight842.01 g/mol
Exact Mass841.30
IUPAC NameN-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
SMILESCC1(c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3oc3ccccc34)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C63H39NO2/c1-62(50-25-9-2-17-40(50)41-18-3-10-26-51(41)62)56-37-39(35-49-47-23-8-15-32-59(47)65-60(49)56)64(57-30-16-24-48-46-22-7-14-31-58(46)66-61(48)57)38-33-34-45-44-21-6-13-29-54(44)63(55(45)36-38)52-27-11-4-19-42(52)43-20-5-12-28-53(43)63/h2-37H,1H3
InChIKeyNMGRWVRSLSUKKY-UHFFFAOYSA-N
XLogP16.63
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.01
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
CID 169022127
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022495
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
CID 169022361
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 157347077
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
9,9-dimethyl-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)fluoren-2-amine;methane;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-4-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-4-amine
CID 162207264
N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 122675407
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167177941

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine (CID 169022095) is N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine is CC1(c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3oc3ccccc34)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The InChIKey is NMGRWVRSLSUKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NO2/c1-62(50-25-9-2-17-40(50)41-18-3-10-26-51(41)62)56-37-39(35-49-47-23-8-15-32-59(47)65-60(49)56)64(57-30-16-24-48-46-22-7-14-31-58(46)66-61(48)57)38-33-34-45-44-21-6-13-29-54(44)63(55(45)36-38)52-27-11-4-19-42(52)43-20-5-12-28-53(43)63/h2-37H,1H3.
What are the key properties of N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine has a molecular weight of 842.01 g/mol, XLogP of 16.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 169022095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).