N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C61H39NOS — CID 122593367

IUPACN-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5sc6ccccc6c5c3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C61H39NOS/c1-3-14-40(15-4-1)41-26-31-45(32-27-41)62(46-33-28-42(29-34-46)48-21-13-22-53-51-19-8-11-24-57(51)63-60(48)53)47-35-36-50-49-18-7-10-23-55(49)61(56(50)39-47,43-16-5-2-6-17-43)44-30-37-59-54(38-44)52-20-9-12-25-58(52)64-59/h1-39H
InChIKeyXCQILWNTJVGQPV-UHFFFAOYSA-N
MW834.06 g/mol
LogP17.12
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 122593367) has the molecular formula C61H39NOS and a molecular weight of 834.06 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID122593367
Molecular FormulaC61H39NOS
Molecular Weight834.06 g/mol
Exact Mass833.28
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5sc6ccccc6c5c3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C61H39NOS/c1-3-14-40(15-4-1)41-26-31-45(32-27-41)62(46-33-28-42(29-34-46)48-21-13-22-53-51-19-8-11-24-57(51)63-60(48)53)47-35-36-50-49-18-7-10-23-55(49)61(56(50)39-47,43-16-5-2-6-17-43)44-30-37-59-54(38-44)52-20-9-12-25-58(52)64-59/h1-39H
InChIKeyXCQILWNTJVGQPV-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-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzothiophen-2-amine
CID 159041056
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
4-dibenzofuran-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 161095184
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 158068867
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381304
9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
CID 157052053
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121424800
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 122593367) is N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5sc6ccccc6c5c3)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XCQILWNTJVGQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS/c1-3-14-40(15-4-1)41-26-31-45(32-27-41)62(46-33-28-42(29-34-46)48-21-13-22-53-51-19-8-11-24-57(51)63-60(48)53)47-35-36-50-49-18-7-10-23-55(49)61(56(50)39-47,43-16-5-2-6-17-43)44-30-37-59-54(38-44)52-20-9-12-25-58(52)64-59/h1-39H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-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-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 122593367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).