2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine

C41H25NS — CID 146933343

IUPAC2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6ccc7ccccc7c6c5c4)nc3)c3ccccc23)cc1
InChIInChI=1S/C41H25NS/c1-2-11-27(12-3-1)39-31-14-6-8-16-33(31)40(34-17-9-7-15-32(34)39)29-18-21-36(42-25-29)28-20-22-37-35(24-28)41-30-13-5-4-10-26(30)19-23-38(41)43-37/h1-25H
InChIKeyAFLHWPSEHVPAJB-UHFFFAOYSA-N
MW563.73 g/mol
LogP11.91
Rot. Bonds3

About 2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine

2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine (PubChem CID 146933343) has the molecular formula C41H25NS and a molecular weight of 563.73 g/mol. Its IUPAC name is 2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine.

Molecular Properties

Compound Name2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine
PubChem CID146933343
Molecular FormulaC41H25NS
Molecular Weight563.73 g/mol
Exact Mass563.17
IUPAC Name2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6ccc7ccccc7c6c5c4)nc3)c3ccccc23)cc1
InChIInChI=1S/C41H25NS/c1-2-11-27(12-3-1)39-31-14-6-8-16-33(31)40(34-17-9-7-15-32(34)39)29-18-21-36(42-25-29)28-20-22-37-35(24-28)41-30-13-5-4-10-26(30)19-23-38(41)43-37/h1-25H
InChIKeyAFLHWPSEHVPAJB-UHFFFAOYSA-N
XLogP11.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.73
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzothiole
CID 122426548
5-naphtho[2,1-b][1]benzothiol-8-yl-2-(10-phenylanthracen-9-yl)pyridine;5-naphtho[2,3-b][1]benzothiol-1-yl-2-(10-phenylanthracen-9-yl)pyridine;5-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-2-(10-phenylanthracen-9-yl)pyridine
CID 158872561
2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 147699364
2-naphtho[2,3-b][1]benzothiol-3-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353458
5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190952
20-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190938
5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190934
2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353643
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
19-[3-(10-phenylanthracen-9-yl)phenyl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
CID 130190851
5-[3-(10-phenylanthracen-9-yl)phenyl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190837

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine?
The IUPAC name of 2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine (CID 146933343) is 2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine.
What is the SMILES notation for 2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine?
The canonical SMILES for 2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6ccc7ccccc7c6c5c4)nc3)c3ccccc23)cc1.
What is the InChIKey of 2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine?
The InChIKey is AFLHWPSEHVPAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NS/c1-2-11-27(12-3-1)39-31-14-6-8-16-33(31)40(34-17-9-7-15-32(34)39)29-18-21-36(42-25-29)28-20-22-37-35(24-28)41-30-13-5-4-10-26(30)19-23-38(41)43-37/h1-25H.
What are the key properties of 2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine?
2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine has a molecular weight of 563.73 g/mol, XLogP of 11.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine is sourced from PubChem (CID 146933343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).