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

C73H45NO2 — CID 130325270

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C73H45NO2/c1-2-17-46(18-3-1)49-39-44-67(62(45-49)58-26-16-32-66-70(58)61-23-6-11-31-65(61)73(66)63-29-9-4-19-54(63)55-20-5-10-30-64(55)73)74(50-40-35-47(36-41-50)52-24-14-27-59-56-21-7-12-33-68(56)75-71(52)59)51-42-37-48(38-43-51)53-25-15-28-60-57-22-8-13-34-69(57)76-72(53)60/h1-45H
InChIKeyDCWUMKFJVCDWFE-UHFFFAOYSA-N
MW968.17 g/mol
LogP19.97
Rot. Bonds7

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

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline (PubChem CID 130325270) has the molecular formula C73H45NO2 and a molecular weight of 968.17 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
PubChem CID130325270
Molecular FormulaC73H45NO2
Molecular Weight968.17 g/mol
Exact Mass967.35
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C73H45NO2/c1-2-17-46(18-3-1)49-39-44-67(62(45-49)58-26-16-32-66-70(58)61-23-6-11-31-65(61)73(66)63-29-9-4-19-54(63)55-20-5-10-30-64(55)73)74(50-40-35-47(36-41-50)52-24-14-27-59-56-21-7-12-33-68(56)75-71(52)59)51-42-37-48(38-43-51)53-25-15-28-60-57-22-8-13-34-69(57)76-72(53)60/h1-45H
InChIKeyDCWUMKFJVCDWFE-UHFFFAOYSA-N
XLogP19.97
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.17
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 160841944
N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
CID 121285759
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-(4-dibenzofuran-4-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476214
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267145
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168805033
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(3-phenylphenyl)aniline
CID 121381288
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-N-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-diphenyl-N,N-bis(3-phenylphenyl)fluoren-2-amine;N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 157397813
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 142340770

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline (CID 130325270) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline?
The InChIKey is DCWUMKFJVCDWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45NO2/c1-2-17-46(18-3-1)49-39-44-67(62(45-49)58-26-16-32-66-70(58)61-23-6-11-31-65(61)73(66)63-29-9-4-19-54(63)55-20-5-10-30-64(55)73)74(50-40-35-47(36-41-50)52-24-14-27-59-56-21-7-12-33-68(56)75-71(52)59)51-42-37-48(38-43-51)53-25-15-28-60-57-22-8-13-34-69(57)76-72(53)60/h1-45H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline has a molecular weight of 968.17 g/mol, XLogP of 19.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline is sourced from PubChem (CID 130325270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).