N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine

C48H31NS — CID 174256597

IUPACN-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
SMILESc1ccc2cc(-c3ccc(-c4ccc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)sc6ccccc67)ccc5c4)cc3)ccc2c1
InChIInChI=1S/C48H31NS/c1-3-9-36-27-38(18-17-32(36)7-1)34-13-15-35(16-14-34)39-19-20-41-30-43(24-22-40(41)28-39)49(42-23-21-33-8-2-4-10-37(33)29-42)44-25-26-46-45-11-5-6-12-47(45)50-48(46)31-44/h1-31H
InChIKeyOQIMDNLYPNNPDD-UHFFFAOYSA-N
MW653.85 g/mol
LogP14.32
Rot. Bonds5

About N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine

N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine (PubChem CID 174256597) has the molecular formula C48H31NS and a molecular weight of 653.85 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
PubChem CID174256597
Molecular FormulaC48H31NS
Molecular Weight653.85 g/mol
Exact Mass653.22
IUPAC NameN-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
SMILESc1ccc2cc(-c3ccc(-c4ccc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)sc6ccccc67)ccc5c4)cc3)ccc2c1
InChIInChI=1S/C48H31NS/c1-3-9-36-27-38(18-17-32(36)7-1)34-13-15-35(16-14-34)39-19-20-41-30-43(24-22-40(41)28-39)49(42-23-21-33-8-2-4-10-37(33)29-42)44-25-26-46-45-11-5-6-12-47(45)50-48(46)31-44/h1-31H
InChIKeyOQIMDNLYPNNPDD-UHFFFAOYSA-N
XLogP14.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.85
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809897
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174256225
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861
N-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177100618
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256598
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine
CID 163769563
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767046
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
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine (CID 174256597) is N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine is c1ccc2cc(-c3ccc(-c4ccc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)sc6ccccc67)ccc5c4)cc3)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine?
The InChIKey is OQIMDNLYPNNPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS/c1-3-9-36-27-38(18-17-32(36)7-1)34-13-15-35(16-14-34)39-19-20-41-30-43(24-22-40(41)28-39)49(42-23-21-33-8-2-4-10-37(33)29-42)44-25-26-46-45-11-5-6-12-47(45)50-48(46)31-44/h1-31H.
What are the key properties of N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine?
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine has a molecular weight of 653.85 g/mol, XLogP of 14.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine is sourced from PubChem (CID 174256597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).