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

C71H47NS — CID 168847943

IUPACN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C71H47NS/c1-4-19-50(20-5-1)61-42-43-67(69-64-31-13-15-33-68(64)73-70(61)69)72(59-39-36-49(37-40-59)52-22-16-23-53(44-52)55-35-34-48-18-10-11-21-51(48)45-55)60-29-17-24-54(46-60)56-38-41-63-62-30-12-14-32-65(62)71(66(63)47-56,57-25-6-2-7-26-57)58-27-8-3-9-28-58/h1-47H
InChIKeyDKVUSSCIURIKMC-UHFFFAOYSA-N
MW946.23 g/mol
LogP19.71
Rot. Bonds9

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

N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine (PubChem CID 168847943) 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-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
PubChem CID168847943
Molecular FormulaC71H47NS
Molecular Weight946.23 g/mol
Exact Mass945.34
IUPAC NameN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C71H47NS/c1-4-19-50(20-5-1)61-42-43-67(69-64-31-13-15-33-68(64)73-70(61)69)72(59-39-36-49(37-40-59)52-22-16-23-53(44-52)55-35-34-48-18-10-11-21-51(48)45-55)60-29-17-24-54(46-60)56-38-41-63-62-30-12-14-32-65(62)71(66(63)47-56,57-25-6-2-7-26-57)58-27-8-3-9-28-58/h1-47H
InChIKeyDKVUSSCIURIKMC-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-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
CID 168847778
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847919
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-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine
CID 168771967
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170302520
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
N-(4-naphthalen-2-ylphenyl)-1-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 175615775
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
CID 176624728

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
The IUPAC name of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine (CID 168847943) is N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)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-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
The InChIKey is DKVUSSCIURIKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47NS/c1-4-19-50(20-5-1)61-42-43-67(69-64-31-13-15-33-68(64)73-70(61)69)72(59-39-36-49(37-40-59)52-22-16-23-53(44-52)55-35-34-48-18-10-11-21-51(48)45-55)60-29-17-24-54(46-60)56-38-41-63-62-30-12-14-32-65(62)71(66(63)47-56,57-25-6-2-7-26-57)58-27-8-3-9-28-58/h1-47H.
What are the key properties of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine?
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-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-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 168847943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).