8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one

C43H25NOS — CID 163850891

IUPAC8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one
SMILESO=c1c2cc(-c3ccc4sc5ccccc5c4c3)ccc2c2ccccc2n1-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C43H25NOS/c45-43-39-24-26(27-18-22-42-38(23-27)36-14-6-8-16-41(36)46-42)17-20-34(39)35-13-5-7-15-40(35)44(43)28-19-21-33-31-11-2-1-9-29(31)30-10-3-4-12-32(30)37(33)25-28/h1-25H
InChIKeyOUFYHTASTBGTOU-UHFFFAOYSA-N
MW603.75 g/mol
LogP11.64
Rot. Bonds2

About 8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one

8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one (PubChem CID 163850891) has the molecular formula C43H25NOS and a molecular weight of 603.75 g/mol. Its IUPAC name is 8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one.

Molecular Properties

Compound Name8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one
PubChem CID163850891
Molecular FormulaC43H25NOS
Molecular Weight603.75 g/mol
Exact Mass603.17
IUPAC Name8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one
SMILESO=c1c2cc(-c3ccc4sc5ccccc5c4c3)ccc2c2ccccc2n1-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C43H25NOS/c45-43-39-24-26(27-18-22-42-38(23-27)36-14-6-8-16-41(36)46-42)17-20-34(39)35-13-5-7-15-40(35)44(43)28-19-21-33-31-11-2-1-9-29(31)30-10-3-4-12-32(30)37(33)25-28/h1-25H
InChIKeyOUFYHTASTBGTOU-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'}

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Related Compounds

9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
CID 144619443
CID 144619443
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
3-dibenzothiophen-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 90211436
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324812
N-(4-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one
CID 146311331
4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 89491937

Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one?
The IUPAC name of 8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one (CID 163850891) is 8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one.
What is the SMILES notation for 8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one?
The canonical SMILES for 8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one is O=c1c2cc(-c3ccc4sc5ccccc5c4c3)ccc2c2ccccc2n1-c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one?
The InChIKey is OUFYHTASTBGTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NOS/c45-43-39-24-26(27-18-22-42-38(23-27)36-14-6-8-16-41(36)46-42)17-20-34(39)35-13-5-7-15-40(35)44(43)28-19-21-33-31-11-2-1-9-29(31)30-10-3-4-12-32(30)37(33)25-28/h1-25H.
What are the key properties of 8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one?
8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-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 8-dibenzothiophen-2-yl-5-triphenylen-2-ylphenanthridin-6-one is sourced from PubChem (CID 163850891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).