1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine

C38H25NS — CID 156522899

IUPAC1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2-c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C38H25NS/c1-2-13-30(14-3-1)39(31-21-18-26-10-4-5-12-28(26)24-31)35-23-20-27-11-6-7-15-32(27)38(35)29-19-22-34-33-16-8-9-17-36(33)40-37(34)25-29/h1-25H
InChIKeyWHHMZJKMDHZRQB-UHFFFAOYSA-N
MW527.69 g/mol
LogP11.50
Rot. Bonds4

About 1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine

1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine (PubChem CID 156522899) has the molecular formula C38H25NS and a molecular weight of 527.69 g/mol. Its IUPAC name is 1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
PubChem CID156522899
Molecular FormulaC38H25NS
Molecular Weight527.69 g/mol
Exact Mass527.17
IUPAC Name1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2-c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C38H25NS/c1-2-13-30(14-3-1)39(31-21-18-26-10-4-5-12-28(26)24-31)35-23-20-27-11-6-7-15-32(27)38(35)29-19-22-34-33-16-8-9-17-36(33)40-37(34)25-29/h1-25H
InChIKeyWHHMZJKMDHZRQB-UHFFFAOYSA-N
XLogP11.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.69
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
N-(4-cyclopentylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774673
N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774786
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 156522856
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861
4-N-(9-methyldibenzothiophen-3-yl)-1-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177098553
N-chrysen-5-yl-N-phenylnaphtho[2,3-b][1]benzothiol-9-amine
CID 170140707
5-bromo-3-N-dibenzothiophen-3-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134471585
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine?
The IUPAC name of 1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine (CID 156522899) is 1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine?
The canonical SMILES for 1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2-c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of 1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine?
The InChIKey is WHHMZJKMDHZRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NS/c1-2-13-30(14-3-1)39(31-21-18-26-10-4-5-12-28(26)24-31)35-23-20-27-11-6-7-15-32(27)38(35)29-19-22-34-33-16-8-9-17-36(33)40-37(34)25-29/h1-25H.
What are the key properties of 1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine?
1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine has a molecular weight of 527.69 g/mol, XLogP of 11.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 156522899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).