N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine

C34H21NS2 — CID 170040717

IUPACN-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3ccccc3c3c2sc2ccccc23)cc1
InChIInChI=1S/C34H21NS2/c1-2-11-23(12-3-1)35(24-18-19-32-28(21-24)26-14-6-8-16-30(26)36-32)29-20-22-10-4-5-13-25(22)33-27-15-7-9-17-31(27)37-34(29)33/h1-21H
InChIKeyPAESPHZMOXDHKR-UHFFFAOYSA-N
MW507.68 g/mol
LogP11.05
Rot. Bonds3

About N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine

N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine (PubChem CID 170040717) has the molecular formula C34H21NS2 and a molecular weight of 507.68 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
PubChem CID170040717
Molecular FormulaC34H21NS2
Molecular Weight507.68 g/mol
Exact Mass507.11
IUPAC NameN-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3ccccc3c3c2sc2ccccc23)cc1
InChIInChI=1S/C34H21NS2/c1-2-11-23(12-3-1)35(24-18-19-32-28(21-24)26-14-6-8-16-30(26)36-32)29-20-22-10-4-5-13-25(22)33-27-15-7-9-17-31(27)37-34(29)33/h1-21H
InChIKeyPAESPHZMOXDHKR-UHFFFAOYSA-N
XLogP11.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine
CID 171435230
N-(4-naphthalen-1-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
CID 170037916
N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
CID 167182762
N-phenyl-N-[4-[5-(N-phenylanilino)phenanthren-9-yl]phenyl]dibenzothiophen-2-amine
CID 170285392
N-dibenzothiophen-2-yl-N-phenanthren-9-yl-1-phenyldibenzothiophen-4-amine
CID 171435211
N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170040173
4-N,4-N-di(dibenzothiophen-2-yl)-1-N-phenyl-1-N-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)benzene-1,4-diamine
CID 163470739
N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine
CID 129118387
1-N-naphtho[1,2-b][1]benzothiol-8-yl-1-N,3-N-diphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-1,3-diamine
CID 146550645
N-dibenzothiophen-4-yl-N-[4-[4-[di(dibenzothiophen-4-yl)amino]phenyl]phenyl]dibenzothiophen-4-amine;N-[4-[4-[dibenzothiophen-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzothiophen-2-amine;N-[4-[4-[dibenzothiophen-4-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzothiophen-4-amine;N-[4-[4-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzothiophen-2-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158061684
10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
CID 90263885
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine (CID 170040717) is N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine is c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3ccccc3c3c2sc2ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine?
The InChIKey is PAESPHZMOXDHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NS2/c1-2-11-23(12-3-1)35(24-18-19-32-28(21-24)26-14-6-8-16-30(26)36-32)29-20-22-10-4-5-13-25(22)33-27-15-7-9-17-31(27)37-34(29)33/h1-21H.
What are the key properties of N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine?
N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine has a molecular weight of 507.68 g/mol, XLogP of 11.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine is sourced from PubChem (CID 170040717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).