1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine

C56H33N3O — CID 140989014

IUPAC1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine
SMILESc1ccc2nc3cccc(-c4c(-c5cccc6ncc7ccccc7c56)ccc(-c5cccc6oc7ccccc7c56)c4-c4cccc5c4[nH]c4ccccc45)c3cc2c1
InChIInChI=1S/C56H33N3O/c1-3-15-35-34(14-1)32-57-49-26-11-18-37(52(35)49)40-29-30-41(38-20-12-28-51-53(38)43-17-5-8-27-50(43)60-51)55(44-22-9-21-42-36-16-4-7-24-47(36)59-56(42)44)54(40)39-19-10-25-48-45(39)31-33-13-2-6-23-46(33)58-48/h1-32,59H
InChIKeyIUCGQAGKRSDTEC-UHFFFAOYSA-N
MW763.90 g/mol
LogP15.29
Rot. Bonds4

About 1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine

1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine (PubChem CID 140989014) has the molecular formula C56H33N3O and a molecular weight of 763.90 g/mol. Its IUPAC name is 1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine.

Molecular Properties

Compound Name1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine
PubChem CID140989014
Molecular FormulaC56H33N3O
Molecular Weight763.90 g/mol
Exact Mass763.26
IUPAC Name1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine
SMILESc1ccc2nc3cccc(-c4c(-c5cccc6ncc7ccccc7c56)ccc(-c5cccc6oc7ccccc7c56)c4-c4cccc5c4[nH]c4ccccc45)c3cc2c1
InChIInChI=1S/C56H33N3O/c1-3-15-35-34(14-1)32-57-49-26-11-18-37(52(35)49)40-29-30-41(38-20-12-28-51-53(38)43-17-5-8-27-50(43)60-51)55(44-22-9-21-42-36-16-4-7-24-47(36)59-56(42)44)54(40)39-19-10-25-48-45(39)31-33-13-2-6-23-46(33)58-48/h1-32,59H
InChIKeyIUCGQAGKRSDTEC-UHFFFAOYSA-N
XLogP15.29
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.90
LogP ≤ 515.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine?
The IUPAC name of 1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine (CID 140989014) is 1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine.
What is the SMILES notation for 1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine?
The canonical SMILES for 1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine is c1ccc2nc3cccc(-c4c(-c5cccc6ncc7ccccc7c56)ccc(-c5cccc6oc7ccccc7c56)c4-c4cccc5c4[nH]c4ccccc45)c3cc2c1.
What is the InChIKey of 1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine?
The InChIKey is IUCGQAGKRSDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3O/c1-3-15-35-34(14-1)32-57-49-26-11-18-37(52(35)49)40-29-30-41(38-20-12-28-51-53(38)43-17-5-8-27-50(43)60-51)55(44-22-9-21-42-36-16-4-7-24-47(36)59-56(42)44)54(40)39-19-10-25-48-45(39)31-33-13-2-6-23-46(33)58-48/h1-32,59H.
What are the key properties of 1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine?
1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine has a molecular weight of 763.90 g/mol, XLogP of 15.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acridin-1-yl-3-(9H-carbazol-1-yl)-4-dibenzofuran-1-ylphenyl]phenanthridine is sourced from PubChem (CID 140989014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).