N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine

C55H35NS2 — CID 163497598

IUPACN-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C55H35NS2/c1-3-15-36(16-4-1)37-17-13-20-40(33-37)56(50-27-14-24-45-44-23-9-12-28-51(44)58-54(45)50)41-30-32-53-47(35-41)46-34-39(29-31-52(46)57-53)55(38-18-5-2-6-19-38)48-25-10-7-21-42(48)43-22-8-11-26-49(43)55/h1-35H
InChIKeyCSARVTYXYUEQOX-UHFFFAOYSA-N
MW774.03 g/mol
LogP15.92
Rot. Bonds6

About N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine

N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 163497598) has the molecular formula C55H35NS2 and a molecular weight of 774.03 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
PubChem CID163497598
Molecular FormulaC55H35NS2
Molecular Weight774.03 g/mol
Exact Mass773.22
IUPAC NameN-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C55H35NS2/c1-3-15-36(16-4-1)37-17-13-20-40(33-37)56(50-27-14-24-45-44-23-9-12-28-51(44)58-54(45)50)41-30-32-53-47(35-41)46-34-39(29-31-52(46)57-53)55(38-18-5-2-6-19-38)48-25-10-7-21-42(48)43-22-8-11-26-49(43)55/h1-35H
InChIKeyCSARVTYXYUEQOX-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.03
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163549331
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163581266
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163480005
N-phenyl-3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]-N-(4-phenylphenyl)aniline
CID 163737565
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-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine (CID 163497598) is N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2cccc(N(c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is CSARVTYXYUEQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NS2/c1-3-15-36(16-4-1)37-17-13-20-40(33-37)56(50-27-14-24-45-44-23-9-12-28-51(44)58-54(45)50)41-30-32-53-47(35-41)46-34-39(29-31-52(46)57-53)55(38-18-5-2-6-19-38)48-25-10-7-21-42(48)43-22-8-11-26-49(43)55/h1-35H.
What are the key properties of N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine?
N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 774.03 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 163497598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).