N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine

C36H23NS — CID 170272709

IUPACN,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine
SMILESc1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4sc5cc6ccccc6cc5c4c3)ccc2c1
InChIInChI=1S/C36H23NS/c1-3-9-26-19-30(15-13-24(26)7-1)37(31-16-14-25-8-2-4-10-27(25)20-31)32-17-18-35-34(23-32)33-21-28-11-5-6-12-29(28)22-36(33)38-35/h1-23H
InChIKeyLUTISEPUMYJRFW-UHFFFAOYSA-N
MW501.65 g/mol
LogP10.98
Rot. Bonds3

About N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine

N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine (PubChem CID 170272709) has the molecular formula C36H23NS and a molecular weight of 501.65 g/mol. Its IUPAC name is N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine
PubChem CID170272709
Molecular FormulaC36H23NS
Molecular Weight501.65 g/mol
Exact Mass501.16
IUPAC NameN,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine
SMILESc1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4sc5cc6ccccc6cc5c4c3)ccc2c1
InChIInChI=1S/C36H23NS/c1-3-9-26-19-30(15-13-24(26)7-1)37(31-16-14-25-8-2-4-10-27(25)20-31)32-17-18-35-34(23-32)33-21-28-11-5-6-12-29(28)22-36(33)38-35/h1-23H
InChIKeyLUTISEPUMYJRFW-UHFFFAOYSA-N
XLogP10.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.65
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-N,7-N,19-N,19-N-tetranaphthalen-2-yl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303342
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
N,N-bis(naphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiol-3-amine
CID 159596394
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 90263592
N-(13,18-dithiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-yl)-N-(4-phenylphenyl)-13,18-dithiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine
CID 149367038
N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 118405870
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
N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
CID 164799718
N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzothiol-2-amine
CID 169007622
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256597
8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine
CID 170044237

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine?
The IUPAC name of N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine (CID 170272709) is N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine.
What is the SMILES notation for N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine?
The canonical SMILES for N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine is c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4sc5cc6ccccc6cc5c4c3)ccc2c1.
What is the InChIKey of N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine?
The InChIKey is LUTISEPUMYJRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS/c1-3-9-26-19-30(15-13-24(26)7-1)37(31-16-14-25-8-2-4-10-27(25)20-31)32-17-18-35-34(23-32)33-21-28-11-5-6-12-29(28)22-36(33)38-35/h1-23H.
What are the key properties of N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine?
N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine has a molecular weight of 501.65 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine is sourced from PubChem (CID 170272709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).