2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine

C129H79N3S3 — CID 158120673

IUPAC2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6sc7cc8ccccc8cc7c6c5)cc4)nc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4sc4ccc6ccccc6c45)nc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5sc6cc7ccccc7cc6c45)nc3)c3ccccc23)cc1
InChIInChI=1S/C47H29NS.2C41H25NS/c1-2-10-32(11-3-1)46-37-14-6-8-16-39(37)47(40-17-9-7-15-38(40)46)36-22-24-43(48-29-36)31-20-18-30(19-21-31)35-23-25-44-41(27-35)42-26-33-12-4-5-13-34(33)28-45(42)49-44;1-2-12-27(13-3-1)38-30-15-6-8-17-32(30)39(33-18-9-7-16-31(33)38)28-21-23-36(42-25-28)34-19-10-20-35-40-29-14-5-4-11-26(29)22-24-37(40)43-41(34)35;1-2-11-26(12-3-1)39-30-15-6-8-17-32(30)40(33-18-9-7-16-31(33)39)29-21-22-36(42-25-29)34-19-10-20-37-41(34)35-23-27-13-4-5-14-28(27)24-38(35)43-37/h1-29H;2*1-25H
InChIKeyFROKBIXCDGZTOU-UHFFFAOYSA-N
MW1767.27 g/mol
LogP37.40
Rot. Bonds10

About 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine

2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine (PubChem CID 158120673) has the molecular formula C129H79N3S3 and a molecular weight of 1767.27 g/mol. Its IUPAC name is 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine.

Molecular Properties

Compound Name2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine
PubChem CID158120673
Molecular FormulaC129H79N3S3
Molecular Weight1767.27 g/mol
Exact Mass1765.54
IUPAC Name2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6sc7cc8ccccc8cc7c6c5)cc4)nc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4sc4ccc6ccccc6c45)nc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5sc6cc7ccccc7cc6c45)nc3)c3ccccc23)cc1
InChIInChI=1S/C47H29NS.2C41H25NS/c1-2-10-32(11-3-1)46-37-14-6-8-16-39(37)47(40-17-9-7-15-38(40)46)36-22-24-43(48-29-36)31-20-18-30(19-21-31)35-23-25-44-41(27-35)42-26-33-12-4-5-13-34(33)28-45(42)49-44;1-2-12-27(13-3-1)38-30-15-6-8-17-32(30)39(33-18-9-7-16-31(33)38)28-21-23-36(42-25-28)34-19-10-20-35-40-29-14-5-4-11-26(29)22-24-37(40)43-41(34)35;1-2-11-26(12-3-1)39-30-15-6-8-17-32(30)40(33-18-9-7-16-31(33)39)29-21-22-36(42-25-29)34-19-10-20-37-41(34)35-23-27-13-4-5-14-28(27)24-38(35)43-37/h1-29H;2*1-25H
InChIKeyFROKBIXCDGZTOU-UHFFFAOYSA-N
XLogP37.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001767.27
LogP ≤ 537.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine?
The IUPAC name of 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine (CID 158120673) is 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine.
What is the SMILES notation for 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine?
The canonical SMILES for 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6sc7cc8ccccc8cc7c6c5)cc4)nc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4sc4ccc6ccccc6c45)nc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5sc6cc7ccccc7cc6c45)nc3)c3ccccc23)cc1.
What is the InChIKey of 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine?
The InChIKey is FROKBIXCDGZTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NS.2C41H25NS/c1-2-10-32(11-3-1)46-37-14-6-8-16-39(37)47(40-17-9-7-15-38(40)46)36-22-24-43(48-29-36)31-20-18-30(19-21-31)35-23-25-44-41(27-35)42-26-33-12-4-5-13-34(33)28-45(42)49-44;1-2-12-27(13-3-1)38-30-15-6-8-17-32(30)39(33-18-9-7-16-31(33)38)28-21-23-36(42-25-28)34-19-10-20-35-40-29-14-5-4-11-26(29)22-24-37(40)43-41(34)35;1-2-11-26(12-3-1)39-30-15-6-8-17-32(30)40(33-18-9-7-16-31(33)39)29-21-22-36(42-25-29)34-19-10-20-37-41(34)35-23-27-13-4-5-14-28(27)24-38(35)43-37/h1-29H;2*1-25H.
What are the key properties of 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine?
2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine has a molecular weight of 1767.27 g/mol, XLogP of 37.40, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,1-b][1]benzothiol-8-yl-5-(10-phenylanthracen-9-yl)pyridine;2-naphtho[2,3-b][1]benzothiol-1-yl-5-(10-phenylanthracen-9-yl)pyridine;2-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-5-(10-phenylanthracen-9-yl)pyridine is sourced from PubChem (CID 158120673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).