11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline

C41H25NS — CID 138662837

IUPAC11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5nc5sc6ccccc6c45)c3)c3ccccc23)cc1
InChIInChI=1S/C41H25NS/c1-2-13-26(14-3-1)37-29-17-4-6-19-31(29)38(32-20-7-5-18-30(32)37)27-15-12-16-28(25-27)39-33-21-8-10-23-35(33)42-41-40(39)34-22-9-11-24-36(34)43-41/h1-25H
InChIKeyANVQWSXQSRKPSO-UHFFFAOYSA-N
MW563.73 g/mol
LogP11.91
Rot. Bonds3

About 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline

11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline (PubChem CID 138662837) has the molecular formula C41H25NS and a molecular weight of 563.73 g/mol. Its IUPAC name is 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline.

Molecular Properties

Compound Name11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
PubChem CID138662837
Molecular FormulaC41H25NS
Molecular Weight563.73 g/mol
Exact Mass563.17
IUPAC Name11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5nc5sc6ccccc6c45)c3)c3ccccc23)cc1
InChIInChI=1S/C41H25NS/c1-2-13-26(14-3-1)37-29-17-4-6-19-31(29)38(32-20-7-5-18-30(32)37)27-15-12-16-28(25-27)39-33-21-8-10-23-35(33)42-41-40(39)34-22-9-11-24-36(34)43-41/h1-25H
InChIKeyANVQWSXQSRKPSO-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'}

Analyze 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline 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

11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138661940
8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline
CID 10592162
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[3,2-b]quinoline
CID 138661918
2-[3-[10-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 155788382
5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138662504
6-[3-(10-phenylanthracen-9-yl)phenyl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122426392
11-[4-(3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138662840
11-[3-(10-phenylanthracen-9-yl)phenyl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 122427280
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline
CID 138662527
11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline
CID 138661461
11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138662844
5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline
CID 129134302

Frequently Asked Questions

What is the IUPAC name of 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
The IUPAC name of 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline (CID 138662837) is 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline.
What is the SMILES notation for 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
The canonical SMILES for 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline is c1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5nc5sc6ccccc6c45)c3)c3ccccc23)cc1.
What is the InChIKey of 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
The InChIKey is ANVQWSXQSRKPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NS/c1-2-13-26(14-3-1)37-29-17-4-6-19-31(29)38(32-20-7-5-18-30(32)37)27-15-12-16-28(25-27)39-33-21-8-10-23-35(33)42-41-40(39)34-22-9-11-24-36(34)43-41/h1-25H.
What are the key properties of 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline 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 11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline is sourced from PubChem (CID 138662837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).