N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine

C67H43NS2 — CID 121424565

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4)c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cccc32)cc1
InChIInChI=1S/C67H43NS2/c1-3-16-50(17-4-1)67(51-18-5-2-6-19-51)59-24-10-7-23-56(59)66-60(67)25-14-26-61(66)68(53-20-13-15-47(41-53)49-36-40-65-58(43-49)55-22-9-12-28-63(55)70-65)52-37-33-45(34-38-52)44-29-31-46(32-30-44)48-35-39-64-57(42-48)54-21-8-11-27-62(54)69-64/h1-43H
InChIKeyPWHJXWWBTBHFBP-UHFFFAOYSA-N
MW926.22 g/mol
LogP19.26
Rot. Bonds8

About N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine

N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine (PubChem CID 121424565) has the molecular formula C67H43NS2 and a molecular weight of 926.22 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
PubChem CID121424565
Molecular FormulaC67H43NS2
Molecular Weight926.22 g/mol
Exact Mass925.28
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4)c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cccc32)cc1
InChIInChI=1S/C67H43NS2/c1-3-16-50(17-4-1)67(51-18-5-2-6-19-51)59-24-10-7-23-56(59)66-60(67)25-14-26-61(66)68(53-20-13-15-47(41-53)49-36-40-65-58(43-49)55-22-9-12-28-63(55)70-65)52-37-33-45(34-38-52)44-29-31-46(32-30-44)48-35-39-64-57(42-48)54-21-8-11-27-62(54)69-64/h1-43H
InChIKeyPWHJXWWBTBHFBP-UHFFFAOYSA-N
XLogP19.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.22
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 166663845
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424208
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine
CID 167176354
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308860
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582431
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325892
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767644

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine (CID 121424565) is N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4)c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cccc32)cc1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
The InChIKey is PWHJXWWBTBHFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NS2/c1-3-16-50(17-4-1)67(51-18-5-2-6-19-51)59-24-10-7-23-56(59)66-60(67)25-14-26-61(66)68(53-20-13-15-47(41-53)49-36-40-65-58(43-49)55-22-9-12-28-63(55)70-65)52-37-33-45(34-38-52)44-29-31-46(32-30-44)48-35-39-64-57(42-48)54-21-8-11-27-62(54)69-64/h1-43H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine has a molecular weight of 926.22 g/mol, XLogP of 19.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 121424565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).