8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine

C61H39NOS — CID 170045111

IUPAC8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5ccc6sc7cccc(-c8ccccc8)c7c6c5)c4c3c2)cc1
InChIInChI=1S/C61H39NOS/c1-4-17-40(18-5-1)42-33-35-55-50(37-42)60-54(30-16-31-56(60)63-55)62(46-34-36-57-51(39-46)59-47(27-15-32-58(59)64-57)41-19-6-2-7-20-41)45-24-14-23-44(38-45)61(43-21-8-3-9-22-43)52-28-12-10-25-48(52)49-26-11-13-29-53(49)61/h1-39H
InChIKeyJYDRNBMDZQGVHU-UHFFFAOYSA-N
MW834.06 g/mol
LogP17.12
Rot. Bonds7

About 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine

8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine (PubChem CID 170045111) has the molecular formula C61H39NOS and a molecular weight of 834.06 g/mol. Its IUPAC name is 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
PubChem CID170045111
Molecular FormulaC61H39NOS
Molecular Weight834.06 g/mol
Exact Mass833.28
IUPAC Name8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5ccc6sc7cccc(-c8ccccc8)c7c6c5)c4c3c2)cc1
InChIInChI=1S/C61H39NOS/c1-4-17-40(18-5-1)42-33-35-55-50(37-42)60-54(30-16-31-56(60)63-55)62(46-34-36-57-51(39-46)59-47(27-15-32-58(59)64-57)41-19-6-2-7-20-41)45-24-14-23-44(38-45)61(43-21-8-3-9-22-43)52-28-12-10-25-48(52)49-26-11-13-29-53(49)61/h1-39H
InChIKeyJYDRNBMDZQGVHU-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

8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759756
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-(4-dibenzothiophen-2-ylphenyl)-8-[9-(N-phenylanilino)dibenzofuran-3-yl]-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-9-[3-[2-(N-phenylanilino)phenyl]phenyl]dibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-9-[4-[2-(N-phenylanilino)phenyl]phenyl]dibenzothiophen-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-9-[3-[3-[2-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 167591445
N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine
CID 176759746
N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176759710
9-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681079
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163965802
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424485

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine (CID 170045111) is 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5ccc6sc7cccc(-c8ccccc8)c7c6c5)c4c3c2)cc1.
What is the InChIKey of 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is JYDRNBMDZQGVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS/c1-4-17-40(18-5-1)42-33-35-55-50(37-42)60-54(30-16-31-56(60)63-55)62(46-34-36-57-51(39-46)59-47(27-15-32-58(59)64-57)41-19-6-2-7-20-41)45-24-14-23-44(38-45)61(43-21-8-3-9-22-43)52-28-12-10-25-48(52)49-26-11-13-29-53(49)61/h1-39H.
What are the key properties of 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-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 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 170045111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).