N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine

C36H23NS — CID 170272731

IUPACN,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine
SMILESc1ccc2c(N(c3ccc4c(c3)sc3ccc5ccccc5c34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C36H23NS/c1-4-14-28-24(9-1)12-7-17-32(28)37(33-18-8-13-25-10-2-5-15-29(25)33)27-20-21-31-35(23-27)38-34-22-19-26-11-3-6-16-30(26)36(31)34/h1-23H
InChIKeyOAOUACAVXPHAHJ-UHFFFAOYSA-N
MW501.65 g/mol
LogP10.98
Rot. Bonds3

About N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine

N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine (PubChem CID 170272731) has the molecular formula C36H23NS and a molecular weight of 501.65 g/mol. Its IUPAC name is N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine
PubChem CID170272731
Molecular FormulaC36H23NS
Molecular Weight501.65 g/mol
Exact Mass501.16
IUPAC NameN,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine
SMILESc1ccc2c(N(c3ccc4c(c3)sc3ccc5ccccc5c34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C36H23NS/c1-4-14-28-24(9-1)12-7-17-32(28)37(33-18-8-13-25-10-2-5-15-29(25)33)27-20-21-31-35(23-27)38-34-22-19-26-11-3-6-16-30(26)36(31)34/h1-23H
InChIKeyOAOUACAVXPHAHJ-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

6-N,6-N,18-N,18-N-tetranaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine
CID 70923614
N-benzo[g]phenanthren-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167182764
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 90263557
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
N-chrysen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-4-amine
CID 170140491
2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 159424391
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167184091
2-N-dibenzothiophen-1-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-naphthalen-1-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159090908
5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
CID 59182305
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484
2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine
CID 158092286

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine?
The IUPAC name of N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine (CID 170272731) is N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine.
What is the SMILES notation for N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine?
The canonical SMILES for N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine is c1ccc2c(N(c3ccc4c(c3)sc3ccc5ccccc5c34)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine?
The InChIKey is OAOUACAVXPHAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS/c1-4-14-28-24(9-1)12-7-17-32(28)37(33-18-8-13-25-10-2-5-15-29(25)33)27-20-21-31-35(23-27)38-34-22-19-26-11-3-6-16-30(26)36(31)34/h1-23H.
What are the key properties of N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine?
N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-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-1-ylnaphtho[2,1-b][1]benzothiol-9-amine is sourced from PubChem (CID 170272731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).