10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline

C37H21NOS — CID 146301051

IUPAC10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cccc(-c3ccc4sc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)c12
InChIInChI=1S/C37H21NOS/c1-2-9-32-28(7-1)29-19-24(12-15-33(29)39-32)25-13-16-34-30(20-25)31-21-26(14-17-35(31)40-34)27-8-3-5-22-10-11-23-6-4-18-38-37(23)36(22)27/h1-21H
InChIKeyGAHWXHJGHHFITE-UHFFFAOYSA-N
MW527.65 g/mol
LogP10.99
Rot. Bonds2

About 10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline

10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline (PubChem CID 146301051) has the molecular formula C37H21NOS and a molecular weight of 527.65 g/mol. Its IUPAC name is 10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline
PubChem CID146301051
Molecular FormulaC37H21NOS
Molecular Weight527.65 g/mol
Exact Mass527.13
IUPAC Name10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cccc(-c3ccc4sc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)c12
InChIInChI=1S/C37H21NOS/c1-2-9-32-28(7-1)29-19-24(12-15-33(29)39-32)25-13-16-34-30(20-25)31-21-26(14-17-35(31)40-34)27-8-3-5-22-10-11-23-6-4-18-38-37(23)36(22)27/h1-21H
InChIKeyGAHWXHJGHHFITE-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-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline?
The IUPAC name of 10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline (CID 146301051) is 10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline.
What is the SMILES notation for 10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline?
The canonical SMILES for 10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline is c1cnc2c(c1)ccc1cccc(-c3ccc4sc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)c12.
What is the InChIKey of 10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline?
The InChIKey is GAHWXHJGHHFITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NOS/c1-2-9-32-28(7-1)29-19-24(12-15-33(29)39-32)25-13-16-34-30(20-25)31-21-26(14-17-35(31)40-34)27-8-3-5-22-10-11-23-6-4-18-38-37(23)36(22)27/h1-21H.
What are the key properties of 10-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline?
10-(8-dibenzofuran-2-yldibenzothiophen-2-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-(8-dibenzofuran-2-yldibenzothiophen-2-yl)benzo[h]quinoline is sourced from PubChem (CID 146301051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).