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

C41H25NS — CID 147699364

IUPAC2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)sc4c6ccccc6ccc54)nc3)c3ccccc23)cc1
InChIInChI=1S/C41H25NS/c1-2-11-27(12-3-1)39-32-14-6-8-16-34(32)40(35-17-9-7-15-33(35)39)29-20-23-37(42-25-29)28-19-21-31-36-22-18-26-10-4-5-13-30(26)41(36)43-38(31)24-28/h1-25H
InChIKeyGSNUZPYNNZTRJN-UHFFFAOYSA-N
MW563.73 g/mol
LogP11.91
Rot. Bonds3

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

2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine (PubChem CID 147699364) has the molecular formula C41H25NS and a molecular weight of 563.73 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine.

Molecular Properties

Compound Name2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine
PubChem CID147699364
Molecular FormulaC41H25NS
Molecular Weight563.73 g/mol
Exact Mass563.17
IUPAC Name2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)sc4c6ccccc6ccc54)nc3)c3ccccc23)cc1
InChIInChI=1S/C41H25NS/c1-2-11-27(12-3-1)39-32-14-6-8-16-34(32)40(35-17-9-7-15-33(35)39)29-20-23-37(42-25-29)28-19-21-31-36-22-18-26-10-4-5-13-30(26)41(36)43-38(31)24-28/h1-25H
InChIKeyGSNUZPYNNZTRJN-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

2-naphtho[2,3-b][1]benzothiol-3-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353458
2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 146933343
9-(10-phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzothiole
CID 118503725
8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole
CID 118503423
9-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 118503751
6-[4-(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 130190832
2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;2-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzothiole;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 159959576
8-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122427185
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 146781542
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 146859596

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine?
The IUPAC name of 2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine (CID 147699364) is 2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine.
What is the SMILES notation for 2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine?
The canonical SMILES for 2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)sc4c6ccccc6ccc54)nc3)c3ccccc23)cc1.
What is the InChIKey of 2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine?
The InChIKey is GSNUZPYNNZTRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NS/c1-2-11-27(12-3-1)39-32-14-6-8-16-34(32)40(35-17-9-7-15-33(35)39)29-20-23-37(42-25-29)28-19-21-31-36-22-18-26-10-4-5-13-30(26)41(36)43-38(31)24-28/h1-25H.
What are the key properties of 2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine?
2-naphtho[1,2-b][1]benzothiol-9-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[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine is sourced from PubChem (CID 147699364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).