N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine

C49H29NO2 — CID 138716831

IUPACN-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C49H29NO2/c1-6-18-37-31(13-1)32-14-2-7-19-38(32)49(37)39-20-8-3-15-33(39)34-28-27-30(29-40(34)49)50(41-21-11-25-45-47(41)35-16-4-9-23-43(35)51-45)42-22-12-26-46-48(42)36-17-5-10-24-44(36)52-46/h1-29H
InChIKeyRSIZBIDNRUDZNS-UHFFFAOYSA-N
MW663.78 g/mol
LogP13.30
Rot. Bonds3

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

N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine (PubChem CID 138716831) has the molecular formula C49H29NO2 and a molecular weight of 663.78 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
PubChem CID138716831
Molecular FormulaC49H29NO2
Molecular Weight663.78 g/mol
Exact Mass663.22
IUPAC NameN-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C49H29NO2/c1-6-18-37-31(13-1)32-14-2-7-19-38(32)49(37)39-20-8-3-15-33(39)34-28-27-30(29-40(34)49)50(41-21-11-25-45-47(41)35-16-4-9-23-43(35)51-45)42-22-12-26-46-48(42)36-17-5-10-24-44(36)52-46/h1-29H
InChIKeyRSIZBIDNRUDZNS-UHFFFAOYSA-N
XLogP13.30
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-(9,9-dimethylfluoren-2-yl)-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-1-amine
CID 130263964
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309054

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine (CID 138716831) is N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
The InChIKey is RSIZBIDNRUDZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO2/c1-6-18-37-31(13-1)32-14-2-7-19-38(32)49(37)39-20-8-3-15-33(39)34-28-27-30(29-40(34)49)50(41-21-11-25-45-47(41)35-16-4-9-23-43(35)51-45)42-22-12-26-46-48(42)36-17-5-10-24-44(36)52-46/h1-29H.
What are the key properties of N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine has a molecular weight of 663.78 g/mol, XLogP of 13.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 138716831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).