N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

C50H33NS — CID 167325795

IUPACN-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2cccc3c2sc2ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C50H33NS/c1-3-18-38-34(14-1)16-11-23-39(38)36-30-32-37(33-31-36)51(47-27-8-5-20-42(47)41-24-12-17-35-15-2-4-19-40(35)41)48-28-9-6-21-43(48)45-25-13-26-46-44-22-7-10-29-49(44)52-50(45)46/h1-33H
InChIKeyBWMNOSNRTFCNOF-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

About N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167325795) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID167325795
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2cccc3c2sc2ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C50H33NS/c1-3-18-38-34(14-1)16-11-23-39(38)36-30-32-37(33-31-36)51(47-27-8-5-20-42(47)41-24-12-17-35-15-2-4-19-40(35)41)48-28-9-6-21-43(48)45-25-13-26-46-44-22-7-10-29-49(44)52-50(45)46/h1-33H
InChIKeyBWMNOSNRTFCNOF-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-(2-dibenzothiophen-4-ylphenyl)-2-(2-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326153
N-(2-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235510
2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324943
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168766864
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767231
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324592
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501939
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (CID 167325795) is N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2cccc3c2sc2ccccc23)c(-c2cccc3ccccc23)c1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is BWMNOSNRTFCNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-3-18-38-34(14-1)16-11-23-39(38)36-30-32-37(33-31-36)51(47-27-8-5-20-42(47)41-24-12-17-35-15-2-4-19-40(35)41)48-28-9-6-21-43(48)45-25-13-26-46-44-22-7-10-29-49(44)52-50(45)46/h1-33H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 679.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167325795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).