N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine

C64H42N2OS — CID 167086793

IUPACN-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3ccccc3N(c3cccc4c3sc3ccccc34)c3cccc4oc5ccccc5c34)c2)c2ccc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C64H42N2OS/c1-3-20-43(21-4-1)47-40-41-57(51-29-8-7-28-50(47)51)65(55-33-13-9-26-48(55)44-22-5-2-6-23-44)46-25-17-24-45(42-46)49-27-10-14-34-56(49)66(58-35-19-38-61-63(58)54-31-11-15-37-60(54)67-61)59-36-18-32-53-52-30-12-16-39-62(52)68-64(53)59/h1-42H
InChIKeyWAKYMBXRGUNYQA-UHFFFAOYSA-N
MW887.12 g/mol
LogP19.05
Rot. Bonds9

About N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine

N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 167086793) has the molecular formula C64H42N2OS and a molecular weight of 887.12 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID167086793
Molecular FormulaC64H42N2OS
Molecular Weight887.12 g/mol
Exact Mass886.30
IUPAC NameN-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3ccccc3N(c3cccc4c3sc3ccccc34)c3cccc4oc5ccccc5c34)c2)c2ccc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C64H42N2OS/c1-3-20-43(21-4-1)47-40-41-57(51-29-8-7-28-50(47)51)65(55-33-13-9-26-48(55)44-22-5-2-6-23-44)46-25-17-24-45(42-46)49-27-10-14-34-56(49)66(58-35-19-38-61-63(58)54-31-11-15-37-60(54)67-61)59-36-18-32-53-52-30-12-16-39-62(52)68-64(53)59/h1-42H
InChIKeyWAKYMBXRGUNYQA-UHFFFAOYSA-N
XLogP19.05
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.12
LogP ≤ 519.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 163806431
N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086567
N-(4-dibenzothiophen-4-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397298
N-[2-(2-phenylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744415
N-(3-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186779
N-(4-dibenzofuran-1-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167234327
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)dibenzofuran-1-amine
CID 155186941
N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177080685
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158866237
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186597

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine (CID 167086793) is N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine is c1ccc(-c2ccccc2N(c2cccc(-c3ccccc3N(c3cccc4c3sc3ccccc34)c3cccc4oc5ccccc5c34)c2)c2ccc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is WAKYMBXRGUNYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2OS/c1-3-20-43(21-4-1)47-40-41-57(51-29-8-7-28-50(47)51)65(55-33-13-9-26-48(55)44-22-5-2-6-23-44)46-25-17-24-45(42-46)49-27-10-14-34-56(49)66(58-35-19-38-61-63(58)54-31-11-15-37-60(54)67-61)59-36-18-32-53-52-30-12-16-39-62(52)68-64(53)59/h1-42H.
What are the key properties of N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine?
N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 887.12 g/mol, XLogP of 19.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 167086793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).