3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C67H41NO — CID 138729044

IUPAC3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cc3c(cc2-c2ccc4c(c2)oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C67H41NO/c1-2-18-42(19-3-1)45-20-11-16-32-63(45)68(44-35-37-50-48-23-5-4-21-46(48)47-22-6-7-24-49(47)57(50)39-44)64-41-62-58(40-56(64)43-34-36-55-54-28-12-17-33-65(54)69-66(55)38-43)53-27-10-15-31-61(53)67(62)59-29-13-8-25-51(59)52-26-9-14-30-60(52)67/h1-41H
InChIKeySYEIGGNYEIZLDT-UHFFFAOYSA-N
MW876.07 g/mol
LogP18.19
Rot. Bonds5

About 3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729044) has the molecular formula C67H41NO and a molecular weight of 876.07 g/mol. Its IUPAC name is 3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID138729044
Molecular FormulaC67H41NO
Molecular Weight876.07 g/mol
Exact Mass875.32
IUPAC Name3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cc3c(cc2-c2ccc4c(c2)oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C67H41NO/c1-2-18-42(19-3-1)45-20-11-16-32-63(45)68(44-35-37-50-48-23-5-4-21-46(48)47-22-6-7-24-49(47)57(50)39-44)64-41-62-58(40-56(64)43-34-36-55-54-28-12-17-33-65(54)69-66(55)38-43)53-27-10-15-31-61(53)67(62)59-29-13-8-25-51(59)52-26-9-14-30-60(52)67/h1-41H
InChIKeySYEIGGNYEIZLDT-UHFFFAOYSA-N
XLogP18.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.07
LogP ≤ 518.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729491
N-[3'-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177084537
3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729493
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
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,3'-bis(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(2-phenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 160941164
3'-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzofuran-2-yl-N-[4-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 161260568
N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729354
3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729929
3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729869
N-dibenzofuran-3-yl-N-(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]-10'-amine
CID 130463123
N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298604

Frequently Asked Questions

What is the IUPAC name of 3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729044) is 3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cc3c(cc2-c2ccc4c(c2)oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is SYEIGGNYEIZLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41NO/c1-2-18-42(19-3-1)45-20-11-16-32-63(45)68(44-35-37-50-48-23-5-4-21-46(48)47-22-6-7-24-49(47)57(50)39-44)64-41-62-58(40-56(64)43-34-36-55-54-28-12-17-33-65(54)69-66(55)38-43)53-27-10-15-31-61(53)67(62)59-29-13-8-25-51(59)52-26-9-14-30-60(52)67/h1-41H.
What are the key properties of 3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 876.07 g/mol, XLogP of 18.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-dibenzofuran-3-yl-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).