N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine

C38H25NS — CID 177113902

IUPACN-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc2cc(-c3cc4ccccc4cc3-c3ccc(Nc4cccc5sc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C38H25NS/c1-2-9-27-22-30(17-16-25(27)8-1)34-24-29-11-4-3-10-28(29)23-33(34)26-18-20-31(21-19-26)39-35-13-7-15-37-38(35)32-12-5-6-14-36(32)40-37/h1-24,39H
InChIKeyQILLZKRBETZASN-UHFFFAOYSA-N
MW527.69 g/mol
LogP11.44
Rot. Bonds4

About N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine

N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 177113902) has the molecular formula C38H25NS and a molecular weight of 527.69 g/mol. Its IUPAC name is N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
PubChem CID177113902
Molecular FormulaC38H25NS
Molecular Weight527.69 g/mol
Exact Mass527.17
IUPAC NameN-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc2cc(-c3cc4ccccc4cc3-c3ccc(Nc4cccc5sc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C38H25NS/c1-2-9-27-22-30(17-16-25(27)8-1)34-24-29-11-4-3-10-28(29)23-33(34)26-18-20-31(21-19-26)39-35-13-7-15-37-38(35)32-12-5-6-14-36(32)40-37/h1-24,39H
InChIKeyQILLZKRBETZASN-UHFFFAOYSA-N
XLogP11.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.69
LogP ≤ 511.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene
CID 59282129
N-phenyldibenzothiophen-1-amine
CID 126538366
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113837
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 142405945
N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
CID 165071492
4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzothiole
CID 122415548
N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 159380478

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine (CID 177113902) is N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine is c1ccc2cc(-c3cc4ccccc4cc3-c3ccc(Nc4cccc5sc6ccccc6c45)cc3)ccc2c1.
What is the InChIKey of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is QILLZKRBETZASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NS/c1-2-9-27-22-30(17-16-25(27)8-1)34-24-29-11-4-3-10-28(29)23-33(34)26-18-20-31(21-19-26)39-35-13-7-15-37-38(35)32-12-5-6-14-36(32)40-37/h1-24,39H.
What are the key properties of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine?
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 527.69 g/mol, XLogP of 11.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 177113902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).