N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine

C61H39NOS — CID 121424253

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)cccc32)cc1
InChIInChI=1S/C61H39NOS/c1-3-20-42(21-4-1)61(43-22-5-2-6-23-43)53-33-10-7-28-52(53)58-54(61)34-17-35-55(58)62(44-24-13-18-40(38-44)46-29-15-31-50-48-26-8-11-36-56(48)63-59(46)50)45-25-14-19-41(39-45)47-30-16-32-51-49-27-9-12-37-57(49)64-60(47)51/h1-39H
InChIKeyLJPJMFUEEWRDBP-UHFFFAOYSA-N
MW834.06 g/mol
LogP17.12
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine

N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 121424253) has the molecular formula C61H39NOS and a molecular weight of 834.06 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID121424253
Molecular FormulaC61H39NOS
Molecular Weight834.06 g/mol
Exact Mass833.28
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)cccc32)cc1
InChIInChI=1S/C61H39NOS/c1-3-20-42(21-4-1)61(43-22-5-2-6-23-43)53-33-10-7-28-52(53)58-54(61)34-17-35-55(58)62(44-24-13-18-40(38-44)46-29-15-31-50-48-26-8-11-36-56(48)63-59(46)50)45-25-14-19-41(39-45)47-30-16-32-51-49-27-9-12-37-57(49)64-60(47)51/h1-39H
InChIKeyLJPJMFUEEWRDBP-UHFFFAOYSA-N
XLogP17.12
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.06
LogP ≤ 517.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 160996301
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424208
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 161432391
N-(3-dibenzofuran-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-4-amine
CID 162115385
N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 159643698
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424347
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424214
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424505

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 121424253) is N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)cccc32)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is LJPJMFUEEWRDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS/c1-3-20-42(21-4-1)61(43-22-5-2-6-23-43)53-33-10-7-28-52(53)58-54(61)34-17-35-55(58)62(44-24-13-18-40(38-44)46-29-15-31-50-48-26-8-11-36-56(48)63-59(46)50)45-25-14-19-41(39-45)47-30-16-32-51-49-27-9-12-37-57(49)64-60(47)51/h1-39H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 834.06 g/mol, XLogP of 17.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 121424253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).