N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine

C34H21NS2 — CID 170039484

IUPACN-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3ccc4sc5ccccc5c4c3c2)cc1
InChIInChI=1S/C34H21NS2/c1-2-8-23(9-3-1)35(25-17-18-27-26-10-4-6-12-30(26)37-33(27)21-25)24-16-14-22-15-19-32-34(29(22)20-24)28-11-5-7-13-31(28)36-32/h1-21H
InChIKeyFUDMIJCSYVELRM-UHFFFAOYSA-N
MW507.68 g/mol
LogP11.05
Rot. Bonds3

About N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine

N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine (PubChem CID 170039484) has the molecular formula C34H21NS2 and a molecular weight of 507.68 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
PubChem CID170039484
Molecular FormulaC34H21NS2
Molecular Weight507.68 g/mol
Exact Mass507.11
IUPAC NameN-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3ccc4sc5ccccc5c4c3c2)cc1
InChIInChI=1S/C34H21NS2/c1-2-8-23(9-3-1)35(25-17-18-27-26-10-4-6-12-30(26)37-33(27)21-25)24-16-14-22-15-19-32-34(29(22)20-24)28-11-5-7-13-31(28)36-32/h1-21H
InChIKeyFUDMIJCSYVELRM-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

7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
N-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037216
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
2-N,9-N-di(dibenzothiophen-3-yl)-2-N,9-N-diphenylchrysene-2,9-diamine
CID 170410342
2-N-dibenzothiophen-3-yl-2-N,7-N,7-N-triphenylphenanthrene-2,7-diamine
CID 170410437
N-chrysen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170140492
N-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037124
N-benzo[g]phenanthren-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167182764
6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine
CID 163713903
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040
N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 90263557

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine (CID 170039484) is N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine is c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3ccc4sc5ccccc5c4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine?
The InChIKey is FUDMIJCSYVELRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NS2/c1-2-8-23(9-3-1)35(25-17-18-27-26-10-4-6-12-30(26)37-33(27)21-25)24-16-14-22-15-19-32-34(29(22)20-24)28-11-5-7-13-31(28)36-32/h1-21H.
What are the key properties of N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine?
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-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-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine is sourced from PubChem (CID 170039484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).