N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine

C71H47NS — CID 168847919

IUPACN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C71H47NS/c1-4-19-50(20-5-1)61-43-44-67(69-64-33-13-15-36-68(64)73-70(61)69)72(57-40-37-48(38-41-57)51-23-16-25-54(45-51)60-34-18-22-49-21-10-11-31-59(49)60)58-30-17-24-52(46-58)53-39-42-63-62-32-12-14-35-65(62)71(66(63)47-53,55-26-6-2-7-27-55)56-28-8-3-9-29-56/h1-47H
InChIKeyVMWHWBUYUWEPFE-UHFFFAOYSA-N
MW946.23 g/mol
LogP19.71
Rot. Bonds9

About N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine

N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine (PubChem CID 168847919) has the molecular formula C71H47NS and a molecular weight of 946.23 g/mol. Its IUPAC name is N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
PubChem CID168847919
Molecular FormulaC71H47NS
Molecular Weight946.23 g/mol
Exact Mass945.34
IUPAC NameN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C71H47NS/c1-4-19-50(20-5-1)61-43-44-67(69-64-33-13-15-36-68(64)73-70(61)69)72(57-40-37-48(38-41-57)51-23-16-25-54(45-51)60-34-18-22-49-21-10-11-31-59(49)60)58-30-17-24-52(46-58)53-39-42-63-62-32-12-14-35-65(62)71(66(63)47-53,55-26-6-2-7-27-55)56-28-8-3-9-29-56/h1-47H
InChIKeyVMWHWBUYUWEPFE-UHFFFAOYSA-N
XLogP19.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.23
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847706
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847943
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
CID 168847778
2-[4-(9,9-diphenylfluoren-3-yl)dibenzothiophen-1-yl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 166987952
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170302520
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767715
2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326289
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168767516
N-(3-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118405991
4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168848036
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
The IUPAC name of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine (CID 168847919) is N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
The InChIKey is VMWHWBUYUWEPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47NS/c1-4-19-50(20-5-1)61-43-44-67(69-64-33-13-15-36-68(64)73-70(61)69)72(57-40-37-48(38-41-57)51-23-16-25-54(45-51)60-34-18-22-49-21-10-11-31-59(49)60)58-30-17-24-52(46-58)53-39-42-63-62-32-12-14-35-65(62)71(66(63)47-53,55-26-6-2-7-27-55)56-28-8-3-9-29-56/h1-47H.
What are the key properties of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine has a molecular weight of 946.23 g/mol, XLogP of 19.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 168847919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).