2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline

C65H43NS — CID 167326123

IUPAC2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1
InChIInChI=1S/C65H43NS/c1-3-20-47(21-4-1)65(48-22-5-2-6-23-48)58-31-12-9-26-56(58)63-53(29-16-32-59(63)65)46-38-42-50(43-39-46)66(49-40-36-45(37-41-49)52-28-15-19-44-18-7-8-24-51(44)52)60-33-13-10-25-54(60)55-30-17-35-62-64(55)57-27-11-14-34-61(57)67-62/h1-43H
InChIKeyZJPCBOHMPUSFOZ-UHFFFAOYSA-N
MW870.13 g/mol
LogP18.04
Rot. Bonds8

About 2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline

2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167326123) has the molecular formula C65H43NS and a molecular weight of 870.13 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID167326123
Molecular FormulaC65H43NS
Molecular Weight870.13 g/mol
Exact Mass869.31
IUPAC Name2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1
InChIInChI=1S/C65H43NS/c1-3-20-47(21-4-1)65(48-22-5-2-6-23-48)58-31-12-9-26-56(58)63-53(29-16-32-59(63)65)46-38-42-50(43-39-46)66(49-40-36-45(37-41-49)52-28-15-19-44-18-7-8-24-51(44)52)60-33-13-10-25-54(60)55-30-17-35-62-64(55)57-27-11-14-34-61(57)67-62/h1-43H
InChIKeyZJPCBOHMPUSFOZ-UHFFFAOYSA-N
XLogP18.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.13
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 172545021
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169020447
N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 172544772
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767241
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 142481230
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303422
N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374
2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326040
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline (CID 167326123) is 2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is ZJPCBOHMPUSFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NS/c1-3-20-47(21-4-1)65(48-22-5-2-6-23-48)58-31-12-9-26-56(58)63-53(29-16-32-59(63)65)46-38-42-50(43-39-46)66(49-40-36-45(37-41-49)52-28-15-19-44-18-7-8-24-51(44)52)60-33-13-10-25-54(60)55-30-17-35-62-64(55)57-27-11-14-34-61(57)67-62/h1-43H.
What are the key properties of 2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 870.13 g/mol, XLogP of 18.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167326123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).