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

C61H37NO2 — CID 118298604

IUPACN,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2ccc3oc4ccccc4c3c2)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C61H37NO2/c1-8-22-51-43(17-1)44-18-2-9-23-52(44)61(51)53-24-10-3-19-45(53)46-32-31-40(37-54(46)61)62(55-25-11-4-15-41(55)38-29-33-59-49(35-38)47-20-6-13-27-57(47)63-59)56-26-12-5-16-42(56)39-30-34-60-50(36-39)48-21-7-14-28-58(48)64-60/h1-37H
InChIKeyAMJQPFWZOHJPCN-UHFFFAOYSA-N
MW815.97 g/mol
LogP16.63
Rot. Bonds5

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

N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118298604) has the molecular formula C61H37NO2 and a molecular weight of 815.97 g/mol. Its IUPAC name is N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID118298604
Molecular FormulaC61H37NO2
Molecular Weight815.97 g/mol
Exact Mass815.28
IUPAC NameN,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2ccc3oc4ccccc4c3c2)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C61H37NO2/c1-8-22-51-43(17-1)44-18-2-9-23-52(44)61(51)53-24-10-3-19-45(53)46-32-31-40(37-54(46)61)62(55-25-11-4-15-41(55)38-29-33-59-49(35-38)47-20-6-13-27-57(47)63-59)56-26-12-5-16-42(56)39-30-34-60-50(36-39)48-21-7-14-28-58(48)64-60/h1-37H
InChIKeyAMJQPFWZOHJPCN-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-(2-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 122675384
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,N-bis(2-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N,N-bis(2-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 160626723
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675393
2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326417
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 156664742
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166459

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 118298604) is N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2ccc3oc4ccccc4c3c2)c(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is AMJQPFWZOHJPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO2/c1-8-22-51-43(17-1)44-18-2-9-23-52(44)61(51)53-24-10-3-19-45(53)46-32-31-40(37-54(46)61)62(55-25-11-4-15-41(55)38-29-33-59-49(35-38)47-20-6-13-27-57(47)63-59)56-26-12-5-16-42(56)39-30-34-60-50(36-39)48-21-7-14-28-58(48)64-60/h1-37H.
What are the key properties of N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N,N-bis(2-dibenzofuran-2-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-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118298604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).