N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine

C67H41NO — CID 130308762

IUPACN-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
SMILESc1cc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C67H41NO/c1-2-18-51-49(16-1)50-17-3-4-19-52(50)59-40-47(33-36-53(51)59)68(46-31-28-42(29-32-46)43-14-13-15-44(38-43)45-30-35-58-57-23-8-12-27-65(57)69-66(58)39-45)48-34-37-64-60(41-48)56-22-7-11-26-63(56)67(64)61-24-9-5-20-54(61)55-21-6-10-25-62(55)67/h1-41H
InChIKeyKEIFXFLYKFBDHK-UHFFFAOYSA-N
MW876.07 g/mol
LogP18.19
Rot. Bonds5

About N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine

N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine (PubChem CID 130308762) has the molecular formula C67H41NO and a molecular weight of 876.07 g/mol. Its IUPAC name is N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
PubChem CID130308762
Molecular FormulaC67H41NO
Molecular Weight876.07 g/mol
Exact Mass875.32
IUPAC NameN-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
SMILESc1cc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C67H41NO/c1-2-18-51-49(16-1)50-17-3-4-19-52(50)59-40-47(33-36-53(51)59)68(46-31-28-42(29-32-46)43-14-13-15-44(38-43)45-30-35-58-57-23-8-12-27-65(57)69-66(58)39-45)48-34-37-64-60(41-48)56-22-7-11-26-63(56)67(64)61-24-9-5-20-54(61)55-21-6-10-25-62(55)67/h1-41H
InChIKeyKEIFXFLYKFBDHK-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

N-dibenzofuran-2-yl-N-(4-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 130463127
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308913
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308471
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
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
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine (CID 130308762) is N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine is c1cc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is KEIFXFLYKFBDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41NO/c1-2-18-51-49(16-1)50-17-3-4-19-52(50)59-40-47(33-36-53(51)59)68(46-31-28-42(29-32-46)43-14-13-15-44(38-43)45-30-35-58-57-23-8-12-27-65(57)69-66(58)39-45)48-34-37-64-60(41-48)56-22-7-11-26-63(56)67(64)61-24-9-5-20-54(61)55-21-6-10-25-62(55)67/h1-41H.
What are the key properties of N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-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 N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 130308762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).