6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole

C40H24S — CID 122425732

IUPAC6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
SMILESc1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4sc4ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C40H24S/c1-2-12-26-23-28(22-21-25(26)11-1)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)39-29-14-4-3-13-27(29)24-35-30-15-9-10-20-36(30)41-40(35)39/h1-24H
InChIKeyKAABJVKLRKXIMK-UHFFFAOYSA-N
MW536.70 g/mol
LogP12.00
Rot. Bonds2

About 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole

6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole (PubChem CID 122425732) has the molecular formula C40H24S and a molecular weight of 536.70 g/mol. Its IUPAC name is 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole.

Molecular Properties

Compound Name6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
PubChem CID122425732
Molecular FormulaC40H24S
Molecular Weight536.70 g/mol
Exact Mass536.16
IUPAC Name6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
SMILESc1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4sc4ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C40H24S/c1-2-12-26-23-28(22-21-25(26)11-1)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)39-29-14-4-3-13-27(29)24-35-30-15-9-10-20-36(30)41-40(35)39/h1-24H
InChIKeyKAABJVKLRKXIMK-UHFFFAOYSA-N
XLogP12.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.70
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole with MolForge

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

Launch Full Analysis

Related Compounds

6-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole
CID 122426050
14-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130190792
12-(10-naphthalen-2-ylanthracen-9-yl)-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene
CID 130190751
4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130186438
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole
CID 122425735
7-(10-naphthalen-2-ylanthracen-9-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122415909
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene
CID 59413088
12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
CID 163750680
6-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122427429
9-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-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 130186430
16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 130186410
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzothiole
CID 122415548

Frequently Asked Questions

What is the IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole?
The IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole (CID 122425732) is 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole.
What is the SMILES notation for 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole?
The canonical SMILES for 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole is c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4sc4ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole?
The InChIKey is KAABJVKLRKXIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24S/c1-2-12-26-23-28(22-21-25(26)11-1)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)39-29-14-4-3-13-27(29)24-35-30-15-9-10-20-36(30)41-40(35)39/h1-24H.
What are the key properties of 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole?
6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole has a molecular weight of 536.70 g/mol, XLogP of 12.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole is sourced from PubChem (CID 122425732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).