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

C61H39NOS — CID 169021961

IUPACN-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C61H39NOS/c1-3-16-40(17-4-1)41-30-34-44(35-31-41)62(45-36-32-42(33-37-45)47-24-15-25-52-51-23-10-14-29-58(51)64-60(47)52)46-38-53-50-22-9-13-28-57(50)63-59(53)56(39-46)61(43-18-5-2-6-19-43)54-26-11-7-20-48(54)49-21-8-12-27-55(49)61/h1-39H
InChIKeyZKBHIICNLRXMCY-UHFFFAOYSA-N
MW834.06 g/mol
LogP17.12
Rot. Bonds7

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

N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 169021961) has the molecular formula C61H39NOS and a molecular weight of 834.06 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID169021961
Molecular FormulaC61H39NOS
Molecular Weight834.06 g/mol
Exact Mass833.28
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C61H39NOS/c1-3-16-40(17-4-1)41-30-34-44(35-31-41)62(45-36-32-42(33-37-45)47-24-15-25-52-51-23-10-14-29-58(51)64-60(47)52)46-38-53-50-22-9-13-28-57(50)63-59(53)56(39-46)61(43-18-5-2-6-19-43)54-26-11-7-20-48(54)49-21-8-12-27-55(49)61/h1-39H
InChIKeyZKBHIICNLRXMCY-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-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022179
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022287
4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381304
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
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)-3,5-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161165341
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425117
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline
CID 158195164
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-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169021968
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]aniline
CID 140919340
4-(3-carbazol-9-ylphenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 159240665

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 169021961) is N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is ZKBHIICNLRXMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS/c1-3-16-40(17-4-1)41-30-34-44(35-31-41)62(45-36-32-42(33-37-45)47-24-15-25-52-51-23-10-14-29-58(51)64-60(47)52)46-38-53-50-22-9-13-28-57(50)63-59(53)56(39-46)61(43-18-5-2-6-19-43)54-26-11-7-20-48(54)49-21-8-12-27-55(49)61/h1-39H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-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-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 169021961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).