N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine

C34H23NS — CID 167324059

IUPACN-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C34H23NS/c1-2-13-28(14-3-1)35(31-17-9-19-33-34(31)30-16-6-7-18-32(30)36-33)29-15-8-12-26(23-29)27-21-20-24-10-4-5-11-25(24)22-27/h1-23H
InChIKeyAKGKYYHFAWTHER-UHFFFAOYSA-N
MW477.63 g/mol
LogP10.34
Rot. Bonds4

About N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine

N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine (PubChem CID 167324059) has the molecular formula C34H23NS and a molecular weight of 477.63 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
PubChem CID167324059
Molecular FormulaC34H23NS
Molecular Weight477.63 g/mol
Exact Mass477.16
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C34H23NS/c1-2-13-28(14-3-1)35(31-17-9-19-33-34(31)30-16-6-7-18-32(30)36-33)29-15-8-12-26(23-29)27-21-20-24-10-4-5-11-25(24)22-27/h1-23H
InChIKeyAKGKYYHFAWTHER-UHFFFAOYSA-N
XLogP10.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 167086502
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325681
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 167323759
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
N-[2-[2-(N-dibenzothiophen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-11-amine
CID 167086931
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163651994
N-[2-[2-(N-dibenzothiophen-1-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167086900
6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine
CID 167086761

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine (CID 167324059) is N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine is c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The InChIKey is AKGKYYHFAWTHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NS/c1-2-13-28(14-3-1)35(31-17-9-19-33-34(31)30-16-6-7-18-32(30)36-33)29-15-8-12-26(23-29)27-21-20-24-10-4-5-11-25(24)22-27/h1-23H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine?
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine has a molecular weight of 477.63 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 167324059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).