10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline

C37H21NOS — CID 146300892

IUPAC10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cccc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)c12
InChIInChI=1S/C37H21NOS/c1-2-18-32-24(10-1)30-16-6-17-31(37(30)40-32)29-15-5-14-28-27-13-4-12-26(35(27)39-36(28)29)25-11-3-8-22-19-20-23-9-7-21-38-34(23)33(22)25/h1-21H
InChIKeyVEFVLAZOFGNYBF-UHFFFAOYSA-N
MW527.65 g/mol
LogP10.99
Rot. Bonds2

About 10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline

10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline (PubChem CID 146300892) has the molecular formula C37H21NOS and a molecular weight of 527.65 g/mol. Its IUPAC name is 10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline
PubChem CID146300892
Molecular FormulaC37H21NOS
Molecular Weight527.65 g/mol
Exact Mass527.13
IUPAC Name10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cccc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)c12
InChIInChI=1S/C37H21NOS/c1-2-18-32-24(10-1)30-16-6-17-31(37(30)40-32)29-15-5-14-28-27-13-4-12-26(35(27)39-36(28)29)25-11-3-8-22-19-20-23-9-7-21-38-34(23)33(22)25/h1-21H
InChIKeyVEFVLAZOFGNYBF-UHFFFAOYSA-N
XLogP10.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 510.99
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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Frequently Asked Questions

What is the IUPAC name of 10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline?
The IUPAC name of 10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline (CID 146300892) is 10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline.
What is the SMILES notation for 10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline?
The canonical SMILES for 10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline is c1cnc2c(c1)ccc1cccc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)c12.
What is the InChIKey of 10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline?
The InChIKey is VEFVLAZOFGNYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NOS/c1-2-18-32-24(10-1)30-16-6-17-31(37(30)40-32)29-15-5-14-28-27-13-4-12-26(35(27)39-36(28)29)25-11-3-8-22-19-20-23-9-7-21-38-34(23)33(22)25/h1-21H.
What are the key properties of 10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline?
10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline has a molecular weight of 527.65 g/mol, XLogP of 10.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline is sourced from PubChem (CID 146300892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).