6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine

C28H18N2 — CID 122665899

IUPAC6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
SMILESc1ccc(-c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cn2)cc1
InChIInChI=1S/C28H18N2/c1-2-9-20(10-3-1)25-17-15-21(18-29-25)28-24-16-14-19-8-4-5-11-22(19)27(24)23-12-6-7-13-26(23)30-28/h1-18H
InChIKeySKBXSXPSGJVXKM-UHFFFAOYSA-N
MW382.47 g/mol
LogP7.27
Rot. Bonds2

About 6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine

6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine (PubChem CID 122665899) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine.

Molecular Properties

Compound Name6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
PubChem CID122665899
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
SMILESc1ccc(-c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cn2)cc1
InChIInChI=1S/C28H18N2/c1-2-9-20(10-3-1)25-17-15-21(18-29-25)28-24-16-14-19-8-4-5-11-22(19)27(24)23-12-6-7-13-26(23)30-28/h1-18H
InChIKeySKBXSXPSGJVXKM-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine
CID 146230985
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
6-[3-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]benzo[k]phenanthridine
CID 146408560
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 122665637
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
6-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666066
[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane
CID 140759791
6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine
CID 122665268
6-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122666027

Frequently Asked Questions

What is the IUPAC name of 6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine?
The IUPAC name of 6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine (CID 122665899) is 6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine.
What is the SMILES notation for 6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine?
The canonical SMILES for 6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine is c1ccc(-c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cn2)cc1.
What is the InChIKey of 6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine?
The InChIKey is SKBXSXPSGJVXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-2-9-20(10-3-1)25-17-15-21(18-29-25)28-24-16-14-19-8-4-5-11-22(19)27(24)23-12-6-7-13-26(23)30-28/h1-18H.
What are the key properties of 6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine?
6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine has a molecular weight of 382.47 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine is sourced from PubChem (CID 122665899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).