7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine

C55H37NS — CID 163485667

IUPAC7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4sc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c34)cc2)cc1
InChIInChI=1S/C55H37NS/c1-4-15-38(16-5-1)40-27-32-44(33-28-40)56(45-34-29-41(30-35-45)39-17-6-2-7-18-39)51-25-14-26-52-54(51)48-36-31-43(37-53(48)57-52)55(42-19-8-3-9-20-42)49-23-12-10-21-46(49)47-22-11-13-24-50(47)55/h1-37H
InChIKeyVFGYNRVMBQTUES-UHFFFAOYSA-N
MW743.98 g/mol
LogP15.22
Rot. Bonds7

About 7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine

7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 163485667) has the molecular formula C55H37NS and a molecular weight of 743.98 g/mol. Its IUPAC name is 7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound Name7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID163485667
Molecular FormulaC55H37NS
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC Name7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4sc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c34)cc2)cc1
InChIInChI=1S/C55H37NS/c1-4-15-38(16-5-1)40-27-32-44(33-28-40)56(45-34-29-41(30-35-45)39-17-6-2-7-18-39)51-25-14-26-52-54(51)48-36-31-43(37-53(48)57-52)55(42-19-8-3-9-20-42)49-23-12-10-21-46(49)47-22-11-13-24-50(47)55/h1-37H
InChIKeyVFGYNRVMBQTUES-UHFFFAOYSA-N
XLogP15.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585
N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine
CID 163626827
N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214656
N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]aniline;N-phenyl-2-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]-N-(4-phenylphenyl)aniline;N-phenyl-2-[7-(9-phenylfluoren-9-yl)dibenzofuran-4-yl]-N-(4-phenylphenyl)aniline
CID 163967774
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 162487427
N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine
CID 163963486
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
N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]aniline;N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163508412
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
CID 162180065
N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163549331
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 158728666

Frequently Asked Questions

What is the IUPAC name of 7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of 7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine (CID 163485667) is 7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for 7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for 7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4sc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c34)cc2)cc1.
What is the InChIKey of 7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is VFGYNRVMBQTUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS/c1-4-15-38(16-5-1)40-27-32-44(33-28-40)56(45-34-29-41(30-35-45)39-17-6-2-7-18-39)51-25-14-26-52-54(51)48-36-31-43(37-53(48)57-52)55(42-19-8-3-9-20-42)49-23-12-10-21-46(49)47-22-11-13-24-50(47)55/h1-37H.
What are the key properties of 7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine?
7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 743.98 g/mol, XLogP of 15.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 163485667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).