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

C61H37NO2 — CID 176583359

IUPACN,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2cccc3oc4ccccc4c23)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C61H37NO2/c1-8-26-49-39(17-1)40-18-2-9-27-50(40)61(49)51-28-10-3-19-41(51)42-36-35-38(37-52(42)61)62(53-29-11-4-20-43(53)45-24-15-33-57-59(45)47-22-6-13-31-55(47)63-57)54-30-12-5-21-44(54)46-25-16-34-58-60(46)48-23-7-14-32-56(48)64-58/h1-37H
InChIKeyUNFDYAAWYWPENV-UHFFFAOYSA-N
MW815.97 g/mol
LogP16.63
Rot. Bonds5

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

N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 176583359) has the molecular formula C61H37NO2 and a molecular weight of 815.97 g/mol. Its IUPAC name is N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID176583359
Molecular FormulaC61H37NO2
Molecular Weight815.97 g/mol
Exact Mass815.28
IUPAC NameN,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2cccc3oc4ccccc4c23)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C61H37NO2/c1-8-26-49-39(17-1)40-18-2-9-27-50(40)61(49)51-28-10-3-19-41(51)42-36-35-38(37-52(42)61)62(53-29-11-4-20-43(53)45-24-15-33-57-59(45)47-22-6-13-31-55(47)63-57)54-30-12-5-21-44(54)46-25-16-34-58-60(46)48-23-7-14-32-56(48)64-58/h1-37H
InChIKeyUNFDYAAWYWPENV-UHFFFAOYSA-N
XLogP16.63
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.97
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
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,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298604
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309054
N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 176583314
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,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-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
N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302496

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 176583359) is N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2cccc3oc4ccccc4c23)c(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is UNFDYAAWYWPENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO2/c1-8-26-49-39(17-1)40-18-2-9-27-50(40)61(49)51-28-10-3-19-41(51)42-36-35-38(37-52(42)61)62(53-29-11-4-20-43(53)45-24-15-33-57-59(45)47-22-6-13-31-55(47)63-57)54-30-12-5-21-44(54)46-25-16-34-58-60(46)48-23-7-14-32-56(48)64-58/h1-37H.
What are the key properties of N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 815.97 g/mol, XLogP of 16.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 176583359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).