6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine

C58H34N2O — CID 163650691

IUPAC6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc3ccccc3c3c2cc(-c2ccc4c(c2)oc2cc(-c5cc6c(-c7ccccc7)nc7ccccc7c6c6ccccc56)ccc24)c2ccccc23)cc1
InChIInChI=1S/C58H34N2O/c1-3-15-35(16-4-1)57-49-33-47(39-19-7-9-21-43(39)55(49)45-23-11-13-25-51(45)59-57)37-27-29-41-42-30-28-38(32-54(42)61-53(41)31-37)48-34-50-56(44-22-10-8-20-40(44)48)46-24-12-14-26-52(46)60-58(50)36-17-5-2-6-18-36/h1-34H
InChIKeyILZLVQNOSWPOMV-UHFFFAOYSA-N
MW774.92 g/mol
LogP15.96
Rot. Bonds4

About 6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine

6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine (PubChem CID 163650691) has the molecular formula C58H34N2O and a molecular weight of 774.92 g/mol. Its IUPAC name is 6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine
PubChem CID163650691
Molecular FormulaC58H34N2O
Molecular Weight774.92 g/mol
Exact Mass774.27
IUPAC Name6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc3ccccc3c3c2cc(-c2ccc4c(c2)oc2cc(-c5cc6c(-c7ccccc7)nc7ccccc7c6c6ccccc56)ccc24)c2ccccc23)cc1
InChIInChI=1S/C58H34N2O/c1-3-15-35(16-4-1)57-49-33-47(39-19-7-9-21-43(39)55(49)45-23-11-13-25-51(45)59-57)37-27-29-41-42-30-28-38(32-54(42)61-53(41)31-37)48-34-50-56(44-22-10-8-20-40(44)48)46-24-12-14-26-52(46)60-58(50)36-17-5-2-6-18-36/h1-34H
InChIKeyILZLVQNOSWPOMV-UHFFFAOYSA-N
XLogP15.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.92
LogP ≤ 515.96
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 6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine?
The IUPAC name of 6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine (CID 163650691) is 6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine.
What is the SMILES notation for 6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine?
The canonical SMILES for 6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine is c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc4c(c2)oc2cc(-c5cc6c(-c7ccccc7)nc7ccccc7c6c6ccccc56)ccc24)c2ccccc23)cc1.
What is the InChIKey of 6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine?
The InChIKey is ILZLVQNOSWPOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O/c1-3-15-35(16-4-1)57-49-33-47(39-19-7-9-21-43(39)55(49)45-23-11-13-25-51(45)59-57)37-27-29-41-42-30-28-38(32-54(42)61-53(41)31-37)48-34-50-56(44-22-10-8-20-40(44)48)46-24-12-14-26-52(46)60-58(50)36-17-5-2-6-18-36/h1-34H.
What are the key properties of 6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine?
6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine has a molecular weight of 774.92 g/mol, XLogP of 15.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-8-[7-(6-phenylbenzo[k]phenanthridin-8-yl)dibenzofuran-3-yl]benzo[k]phenanthridine is sourced from PubChem (CID 163650691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).