3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine

Name: 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₇H₂₄OS — CID 59194838

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine

SMILESCc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc4c(c3)Oc3ccccc3S4)c2c1

InChIInChI=1S/C37H24OS/c1-23-17-19-30-31(21-23)36(25-18-20-35-33(22-25)38-32-15-6-7-16-34(32)39-35)28-12-4-5-13-29(28)37(30)27-14-8-10-24-9-2-3-11-26(24)27/h2-22H,1H3

InChIKeyIEZSAKGMRBGWKB-UHFFFAOYSA-N

MW516.67 g/mol

LogP11.05

Rot. Bonds2

About 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine

3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine (PubChem CID 59194838) has the molecular formula C₃₇H₂₄OS and a molecular weight of 516.67 g/mol. Its IUPAC name is 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine.

Molecular Properties

Compound Name	3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine
PubChem CID	59194838
Molecular Formula	C₃₇H₂₄OS
Molecular Weight	516.67 g/mol
Exact Mass	516.15
IUPAC Name	3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine
SMILES	Cc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc4c(c3)Oc3ccccc3S4)c2c1
InChI	InChI=1S/C37H24OS/c1-23-17-19-30-31(21-23)36(25-18-20-35-33(22-25)38-32-15-6-7-16-34(32)39-35)28-12-4-5-13-29(28)37(30)27-14-8-10-24-9-2-3-11-26(24)27/h2-22H,1H3
InChIKey	IEZSAKGMRBGWKB-UHFFFAOYSA-N
XLogP	11.05
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.67
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine?

The IUPAC name of 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine (CID 59194838) is 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine.

What is the SMILES notation for 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine?

The canonical SMILES for 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine is Cc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc4c(c3)Oc3ccccc3S4)c2c1.

What is the InChIKey of 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine?

The InChIKey is IEZSAKGMRBGWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24OS/c1-23-17-19-30-31(21-23)36(25-18-20-35-33(22-25)38-32-15-6-7-16-34(32)39-35)28-12-4-5-13-29(28)37(30)27-14-8-10-24-9-2-3-11-26(24)27/h2-22H,1H3.

What are the key properties of 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine?

3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine has a molecular weight of 516.67 g/mol, XLogP of 11.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)phenoxathiine is sourced from PubChem (CID 59194838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 59194838 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.