N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine

C68H43NS2 — CID 168847741

IUPACN-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3sc4ccccc4c23)c(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5ccccc45)c4sc5ccccc5c34)cc2)c1
InChIInChI=1S/C68H43NS2/c1-3-18-52-46(14-1)16-11-24-53(52)48-32-30-44(31-33-48)45-34-38-50(39-35-45)69(62-43-42-59(57-25-12-17-47-15-2-4-19-54(47)57)68-67(62)61-23-8-10-28-64(61)71-68)51-40-36-49(37-41-51)55-20-5-6-21-56(55)58-26-13-29-65-66(58)60-22-7-9-27-63(60)70-65/h1-43H
InChIKeyVWSXCECGOKLEDM-UHFFFAOYSA-N
MW938.23 g/mol
LogP20.53
Rot. Bonds8

About N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine

N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 168847741) has the molecular formula C68H43NS2 and a molecular weight of 938.23 g/mol. Its IUPAC name is N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID168847741
Molecular FormulaC68H43NS2
Molecular Weight938.23 g/mol
Exact Mass937.28
IUPAC NameN-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3sc4ccccc4c23)c(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5ccccc45)c4sc5ccccc5c34)cc2)c1
InChIInChI=1S/C68H43NS2/c1-3-18-52-46(14-1)16-11-24-53(52)48-32-30-44(31-33-48)45-34-38-50(39-35-45)69(62-43-42-59(57-25-12-17-47-15-2-4-19-54(47)57)68-67(62)61-23-8-10-28-64(61)71-68)51-40-36-49(37-41-51)55-20-5-6-21-56(55)58-26-13-29-65-66(58)60-22-7-9-27-63(60)70-65/h1-43H
InChIKeyVWSXCECGOKLEDM-UHFFFAOYSA-N
XLogP20.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.23
LogP ≤ 520.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 168847842
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848106
4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168848036
4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168847673
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-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167397344
2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167325878
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 168847999

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine (CID 168847741) is N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2cccc3sc4ccccc4c23)c(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5ccccc45)c4sc5ccccc5c34)cc2)c1.
What is the InChIKey of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is VWSXCECGOKLEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NS2/c1-3-18-52-46(14-1)16-11-24-53(52)48-32-30-44(31-33-48)45-34-38-50(39-35-45)69(62-43-42-59(57-25-12-17-47-15-2-4-19-54(47)57)68-67(62)61-23-8-10-28-64(61)71-68)51-40-36-49(37-41-51)55-20-5-6-21-56(55)58-26-13-29-65-66(58)60-22-7-9-27-63(60)70-65/h1-43H.
What are the key properties of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine has a molecular weight of 938.23 g/mol, XLogP of 20.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 168847741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).