10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline

C43H25NOS — CID 146300906

IUPAC10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cccc(-c3ccc4oc5c(-c6ccc(-c7cccc8sc9ccccc9c78)cc6)cccc5c4c3)c12
InChIInChI=1S/C43H25NOS/c1-2-14-38-35(9-1)41-31(11-5-15-39(41)46-38)26-16-18-27(19-17-26)33-12-4-13-34-36-25-30(22-23-37(36)45-43(33)34)32-10-3-7-28-20-21-29-8-6-24-44-42(29)40(28)32/h1-25H
InChIKeyKDASQFDWGPWGCN-UHFFFAOYSA-N
MW603.75 g/mol
LogP12.66
Rot. Bonds3

About 10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline

10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline (PubChem CID 146300906) has the molecular formula C43H25NOS and a molecular weight of 603.75 g/mol. Its IUPAC name is 10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline.

Molecular Properties

Compound Name10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline
PubChem CID146300906
Molecular FormulaC43H25NOS
Molecular Weight603.75 g/mol
Exact Mass603.17
IUPAC Name10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cccc(-c3ccc4oc5c(-c6ccc(-c7cccc8sc9ccccc9c78)cc6)cccc5c4c3)c12
InChIInChI=1S/C43H25NOS/c1-2-14-38-35(9-1)41-31(11-5-15-39(41)46-38)26-16-18-27(19-17-26)33-12-4-13-34-36-25-30(22-23-37(36)45-43(33)34)32-10-3-7-28-20-21-29-8-6-24-44-42(29)40(28)32/h1-25H
InChIKeyKDASQFDWGPWGCN-UHFFFAOYSA-N
XLogP12.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.75
LogP ≤ 512.66
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-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline?
The IUPAC name of 10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline (CID 146300906) is 10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline.
What is the SMILES notation for 10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline?
The canonical SMILES for 10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline is c1cnc2c(c1)ccc1cccc(-c3ccc4oc5c(-c6ccc(-c7cccc8sc9ccccc9c78)cc6)cccc5c4c3)c12.
What is the InChIKey of 10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline?
The InChIKey is KDASQFDWGPWGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NOS/c1-2-14-38-35(9-1)41-31(11-5-15-39(41)46-38)26-16-18-27(19-17-26)33-12-4-13-34-36-25-30(22-23-37(36)45-43(33)34)32-10-3-7-28-20-21-29-8-6-24-44-42(29)40(28)32/h1-25H.
What are the key properties of 10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline?
10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline has a molecular weight of 603.75 g/mol, XLogP of 12.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]benzo[h]quinoline is sourced from PubChem (CID 146300906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).