5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline

C35H23NOS — CID 70965242

IUPAC5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline
SMILESC1=Cc2c(sc3ccc(Oc4c5ccccc5c(-c5cccc6ccccc56)c5cnccc45)cc23)CC1
InChIInChI=1S/C35H23NOS/c1-2-10-24-22(8-1)9-7-14-26(24)34-27-12-3-4-13-28(27)35(29-18-19-36-21-31(29)34)37-23-16-17-33-30(20-23)25-11-5-6-15-32(25)38-33/h1-5,7-14,16-21H,6,15H2
InChIKeyVRGSCFHUWVUTMU-UHFFFAOYSA-N
MW505.64 g/mol
LogP10.17
Rot. Bonds3

About 5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline

5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline (PubChem CID 70965242) has the molecular formula C35H23NOS and a molecular weight of 505.64 g/mol. Its IUPAC name is 5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline.

Molecular Properties

Compound Name5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline
PubChem CID70965242
Molecular FormulaC35H23NOS
Molecular Weight505.64 g/mol
Exact Mass505.15
IUPAC Name5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline
SMILESC1=Cc2c(sc3ccc(Oc4c5ccccc5c(-c5cccc6ccccc56)c5cnccc45)cc23)CC1
InChIInChI=1S/C35H23NOS/c1-2-10-24-22(8-1)9-7-14-26(24)34-27-12-3-4-13-28(27)35(29-18-19-36-21-31(29)34)37-23-16-17-33-30(20-23)25-11-5-6-15-32(25)38-33/h1-5,7-14,16-21H,6,15H2
InChIKeyVRGSCFHUWVUTMU-UHFFFAOYSA-N
XLogP10.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.64
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline?
The IUPAC name of 5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline (CID 70965242) is 5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline.
What is the SMILES notation for 5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline?
The canonical SMILES for 5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline is C1=Cc2c(sc3ccc(Oc4c5ccccc5c(-c5cccc6ccccc56)c5cnccc45)cc23)CC1.
What is the InChIKey of 5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline?
The InChIKey is VRGSCFHUWVUTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23NOS/c1-2-10-24-22(8-1)9-7-14-26(24)34-27-12-3-4-13-28(27)35(29-18-19-36-21-31(29)34)37-23-16-17-33-30(20-23)25-11-5-6-15-32(25)38-33/h1-5,7-14,16-21H,6,15H2.
What are the key properties of 5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline?
5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline has a molecular weight of 505.64 g/mol, XLogP of 10.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydrodibenzothiophen-2-yloxy)-10-naphthalen-1-ylbenzo[g]isoquinoline is sourced from PubChem (CID 70965242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).