10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole

C42H26S — CID 122425736

IUPAC10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H26S/c1-2-12-29(13-3-1)39-33-15-6-8-17-35(33)40(36-18-9-7-16-34(36)39)30-23-21-28(22-24-30)32-19-10-20-37-38-26-25-27-11-4-5-14-31(27)42(38)43-41(32)37/h1-26H
InChIKeyXIUGQSVUZUZHIW-UHFFFAOYSA-N
MW562.74 g/mol
LogP12.52
Rot. Bonds3

About 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole

10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole (PubChem CID 122425736) has the molecular formula C42H26S and a molecular weight of 562.74 g/mol. Its IUPAC name is 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole.

Molecular Properties

Compound Name10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
PubChem CID122425736
Molecular FormulaC42H26S
Molecular Weight562.74 g/mol
Exact Mass562.18
IUPAC Name10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H26S/c1-2-12-29(13-3-1)39-33-15-6-8-17-35(33)40(36-18-9-7-16-34(36)39)30-23-21-28(22-24-30)32-19-10-20-37-38-26-25-27-11-4-5-14-31(27)42(38)43-41(32)37/h1-26H
InChIKeyXIUGQSVUZUZHIW-UHFFFAOYSA-N
XLogP12.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.74
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-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

10-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122426637
7-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzothiole
CID 164972796
10-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122426221
10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole
CID 118616636
7-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzothiole
CID 164972797
8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole
CID 118503423
10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzothiole
CID 118616658
2,4-bis(4-phenylphenyl)-6-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-1,3,5-triazine
CID 139447186
4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenyldibenzothiophene
CID 58261967
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzothiophene
CID 166706115
3-(6-phenanthren-2-yldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156657
5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-thiahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene
CID 130188999

Frequently Asked Questions

What is the IUPAC name of 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole?
The IUPAC name of 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole (CID 122425736) is 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole.
What is the SMILES notation for 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole?
The canonical SMILES for 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole?
The InChIKey is XIUGQSVUZUZHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26S/c1-2-12-29(13-3-1)39-33-15-6-8-17-35(33)40(36-18-9-7-16-34(36)39)30-23-21-28(22-24-30)32-19-10-20-37-38-26-25-27-11-4-5-14-31(27)42(38)43-41(32)37/h1-26H.
What are the key properties of 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole?
10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole has a molecular weight of 562.74 g/mol, XLogP of 12.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole is sourced from PubChem (CID 122425736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).