10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline

C43H25NOS — CID 146301048

IUPAC10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccc(-c5cccc6ccc7cccnc7c56)c5oc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C43H25NOS/c1-2-10-26(11-3-1)29-15-7-18-34-35-19-8-17-33(43(35)46-42(29)34)31-23-24-32(41-39(31)36-14-4-5-20-37(36)45-41)30-16-6-12-27-21-22-28-13-9-25-44-40(28)38(27)30/h1-25H
InChIKeyMAQSTYHPUUKVLN-UHFFFAOYSA-N
MW603.75 g/mol
LogP12.66
Rot. Bonds3

About 10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline

10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline (PubChem CID 146301048) has the molecular formula C43H25NOS and a molecular weight of 603.75 g/mol. Its IUPAC name is 10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline.

Molecular Properties

Compound Name10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline
PubChem CID146301048
Molecular FormulaC43H25NOS
Molecular Weight603.75 g/mol
Exact Mass603.17
IUPAC Name10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccc(-c5cccc6ccc7cccnc7c56)c5oc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C43H25NOS/c1-2-10-26(11-3-1)29-15-7-18-34-35-19-8-17-33(43(35)46-42(29)34)31-23-24-32(41-39(31)36-14-4-5-20-37(36)45-41)30-16-6-12-27-21-22-28-13-9-25-44-40(28)38(27)30/h1-25H
InChIKeyMAQSTYHPUUKVLN-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-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline?
The IUPAC name of 10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline (CID 146301048) is 10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline.
What is the SMILES notation for 10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline?
The canonical SMILES for 10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline is c1ccc(-c2cccc3c2sc2c(-c4ccc(-c5cccc6ccc7cccnc7c56)c5oc6ccccc6c45)cccc23)cc1.
What is the InChIKey of 10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline?
The InChIKey is MAQSTYHPUUKVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NOS/c1-2-10-26(11-3-1)29-15-7-18-34-35-19-8-17-33(43(35)46-42(29)34)31-23-24-32(41-39(31)36-14-4-5-20-37(36)45-41)30-16-6-12-27-21-22-28-13-9-25-44-40(28)38(27)30/h1-25H.
What are the key properties of 10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline?
10-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-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-[1-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]benzo[h]quinoline is sourced from PubChem (CID 146301048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).