N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline

C71H45NO — CID 156896758

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline
SMILESc1ccc(-c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C71H45NO/c1-2-17-47(18-3-1)55-44-39-50(56-27-15-29-62-60-24-8-12-33-66(60)71(69(56)62)64-31-10-6-22-58(64)59-23-7-11-32-65(59)71)45-67(55)72(51-40-35-48(36-41-51)54-26-14-20-46-19-4-5-21-53(46)54)52-42-37-49(38-43-52)57-28-16-30-63-61-25-9-13-34-68(61)73-70(57)63/h1-45H
InChIKeyYBLIYZUJIVKYJB-UHFFFAOYSA-N
MW928.15 g/mol
LogP19.22
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline (PubChem CID 156896758) has the molecular formula C71H45NO and a molecular weight of 928.15 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline
PubChem CID156896758
Molecular FormulaC71H45NO
Molecular Weight928.15 g/mol
Exact Mass927.35
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline
SMILESc1ccc(-c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C71H45NO/c1-2-17-47(18-3-1)55-44-39-50(56-27-15-29-62-60-24-8-12-33-66(60)71(69(56)62)64-31-10-6-22-58(64)59-23-7-11-32-65(59)71)45-67(55)72(51-40-35-48(36-41-51)54-26-14-20-46-19-4-5-21-53(46)54)52-42-37-49(38-43-52)57-28-16-30-63-61-25-9-13-34-68(61)73-70(57)63/h1-45H
InChIKeyYBLIYZUJIVKYJB-UHFFFAOYSA-N
XLogP19.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.15
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234337
N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235615
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170421362
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 167235611
N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170421354
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234101
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422616
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267145
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161386927

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline (CID 156896758) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline is c1ccc(-c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline?
The InChIKey is YBLIYZUJIVKYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H45NO/c1-2-17-47(18-3-1)55-44-39-50(56-27-15-29-62-60-24-8-12-33-66(60)71(69(56)62)64-31-10-6-22-58(64)59-23-7-11-32-65(59)71)45-67(55)72(51-40-35-48(36-41-51)54-26-14-20-46-19-4-5-21-53(46)54)52-42-37-49(38-43-52)57-28-16-30-63-61-25-9-13-34-68(61)73-70(57)63/h1-45H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline has a molecular weight of 928.15 g/mol, XLogP of 19.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline is sourced from PubChem (CID 156896758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).