2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine

C26H17NS — CID 145407821

IUPAC2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine
SMILESNc1c(-c2cc3sc4ccccc4c3c3ccccc23)ccc2ccccc12
InChIInChI=1S/C26H17NS/c27-26-17-8-2-1-7-16(17)13-14-20(26)22-15-24-25(19-10-4-3-9-18(19)22)21-11-5-6-12-23(21)28-24/h1-15H,27H2
InChIKeyHRBCFEVDZJCYEM-UHFFFAOYSA-N
MW375.50 g/mol
LogP7.61
Rot. Bonds1

About 2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine

2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine (PubChem CID 145407821) has the molecular formula C26H17NS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine.

Molecular Properties

Compound Name2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine
PubChem CID145407821
Molecular FormulaC26H17NS
Molecular Weight375.50 g/mol
Exact Mass375.11
IUPAC Name2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine
SMILESNc1c(-c2cc3sc4ccccc4c3c3ccccc23)ccc2ccccc12
InChIInChI=1S/C26H17NS/c27-26-17-8-2-1-7-16(17)13-14-20(26)22-15-24-25(19-10-4-3-9-18(19)22)21-11-5-6-12-23(21)28-24/h1-15H,27H2
InChIKeyHRBCFEVDZJCYEM-UHFFFAOYSA-N
XLogP7.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130186377
2-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-4-(4-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163604911
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-4-phenylaniline
CID 170038269
15-methyl-18-thiahexacyclo[12.11.0.03,12.04,9.017,25.019,24]pentacosa-1(14),2,4,6,8,10,12,15,17(25),19,21,23-dodecaene
CID 13409743
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)naphtho[2,1-b][1]benzothiol-5-amine
CID 118616866
5-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole
CID 122426465
17-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130186398
2-chloro-4-naphtho[2,1-b][1]benzothiol-5-yl-6-phenyl-1,3,5-triazine
CID 146660995
1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene
CID 59282129
14-(10-naphthalen-1-ylanthracen-9-yl)-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 130190734
9-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-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
CID 155460632
3-(10-naphthalen-1-ylanthracen-9-yl)-7-naphtho[2,1-b][1]benzothiol-5-yldibenzofuran
CID 122426185

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine?
The IUPAC name of 2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine (CID 145407821) is 2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine.
What is the SMILES notation for 2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine?
The canonical SMILES for 2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine is Nc1c(-c2cc3sc4ccccc4c3c3ccccc23)ccc2ccccc12.
What is the InChIKey of 2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine?
The InChIKey is HRBCFEVDZJCYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NS/c27-26-17-8-2-1-7-16(17)13-14-20(26)22-15-24-25(19-10-4-3-9-18(19)22)21-11-5-6-12-23(21)28-24/h1-15H,27H2.
What are the key properties of 2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine?
2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine has a molecular weight of 375.50 g/mol, XLogP of 7.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,1-b][1]benzothiol-5-ylnaphthalen-1-amine is sourced from PubChem (CID 145407821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).