N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline

C62H43NO — CID 167231705

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline
SMILESCC1(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)C=CC2=C(C1)C1(c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C62H43NO/c1-61(39-38-52-51-18-7-11-24-57(51)62(58(52)40-61)55-22-9-5-16-49(55)50-17-6-10-23-56(50)62)44-30-36-47(37-31-44)63(45-32-26-42(27-33-45)41-14-3-2-4-15-41)46-34-28-43(29-35-46)48-20-13-21-54-53-19-8-12-25-59(53)64-60(48)54/h2-39H,40H2,1H3
InChIKeyNXIGFVWPPXZOAS-UHFFFAOYSA-N
MW818.03 g/mol
LogP16.39
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline (PubChem CID 167231705) has the molecular formula C62H43NO and a molecular weight of 818.03 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline
PubChem CID167231705
Molecular FormulaC62H43NO
Molecular Weight818.03 g/mol
Exact Mass817.33
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline
SMILESCC1(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)C=CC2=C(C1)C1(c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C62H43NO/c1-61(39-38-52-51-18-7-11-24-57(51)62(58(52)40-61)55-22-9-5-16-49(55)50-17-6-10-23-56(50)62)44-30-36-47(37-31-44)63(45-32-26-42(27-33-45)41-14-3-2-4-15-41)46-34-28-43(29-35-46)48-20-13-21-54-53-19-8-12-25-59(53)64-60(48)54/h2-39H,40H2,1H3
InChIKeyNXIGFVWPPXZOAS-UHFFFAOYSA-N
XLogP16.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.03
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 157370193
4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480664
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 144724087
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(3-phenylphenyl)aniline
CID 121381288

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline (CID 167231705) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline is CC1(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)C=CC2=C(C1)C1(c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline?
The InChIKey is NXIGFVWPPXZOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO/c1-61(39-38-52-51-18-7-11-24-57(51)62(58(52)40-61)55-22-9-5-16-49(55)50-17-6-10-23-56(50)62)44-30-36-47(37-31-44)63(45-32-26-42(27-33-45)41-14-3-2-4-15-41)46-34-28-43(29-35-46)48-20-13-21-54-53-19-8-12-25-59(53)64-60(48)54/h2-39H,40H2,1H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline has a molecular weight of 818.03 g/mol, XLogP of 16.39, 6 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-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 167231705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).