5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one

C43H25NOS — CID 146311331

IUPAC5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one
SMILESO=c1c2ccccc2c2ccccc2n1-c1cccc2c1sc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12
InChIInChI=1S/C43H25NOS/c45-43-36-16-6-5-14-32(36)34-15-7-8-18-39(34)44(43)40-19-9-17-35-38-25-27(21-23-41(38)46-42(35)40)26-20-22-33-30-12-2-1-10-28(30)29-11-3-4-13-31(29)37(33)24-26/h1-25H
InChIKeyJACZDNQFPRJLSH-UHFFFAOYSA-N
MW603.75 g/mol
LogP11.64
Rot. Bonds2

About 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one

5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one (PubChem CID 146311331) has the molecular formula C43H25NOS and a molecular weight of 603.75 g/mol. Its IUPAC name is 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one.

Molecular Properties

Compound Name5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one
PubChem CID146311331
Molecular FormulaC43H25NOS
Molecular Weight603.75 g/mol
Exact Mass603.17
IUPAC Name5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one
SMILESO=c1c2ccccc2c2ccccc2n1-c1cccc2c1sc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12
InChIInChI=1S/C43H25NOS/c45-43-36-16-6-5-14-32(36)34-15-7-8-18-39(34)44(43)40-19-9-17-35-38-25-27(21-23-41(38)46-42(35)40)26-20-22-33-30-12-2-1-10-28(30)29-11-3-4-13-31(29)37(33)24-26/h1-25H
InChIKeyJACZDNQFPRJLSH-UHFFFAOYSA-N
XLogP11.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.75
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one 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

9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole
CID 135131320
8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one
CID 163850891
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 166952583
9-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169010577
2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole
CID 137493978
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946

Frequently Asked Questions

What is the IUPAC name of 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one?
The IUPAC name of 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one (CID 146311331) is 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one.
What is the SMILES notation for 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one?
The canonical SMILES for 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one is O=c1c2ccccc2c2ccccc2n1-c1cccc2c1sc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.
What is the InChIKey of 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one?
The InChIKey is JACZDNQFPRJLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NOS/c45-43-36-16-6-5-14-32(36)34-15-7-8-18-39(34)44(43)40-19-9-17-35-38-25-27(21-23-41(38)46-42(35)40)26-20-22-33-30-12-2-1-10-28(30)29-11-3-4-13-31(29)37(33)24-26/h1-25H.
What are the key properties of 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one?
5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one has a molecular weight of 603.75 g/mol, XLogP of 11.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one is sourced from PubChem (CID 146311331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).