6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine

C28H18N2 — CID 118332103

IUPAC6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine
SMILESc1cncc(-c2cccc(-c3nc4ccccc4c4c3ccc3ccccc34)c2)c1
InChIInChI=1S/C28H18N2/c1-2-11-23-19(7-1)14-15-25-27(23)24-12-3-4-13-26(24)30-28(25)21-9-5-8-20(17-21)22-10-6-16-29-18-22/h1-18H
InChIKeyNKEODQBLVMPQAW-UHFFFAOYSA-N
MW382.47 g/mol
LogP7.27
Rot. Bonds2

About 6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine

6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine (PubChem CID 118332103) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine.

Molecular Properties

Compound Name6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine
PubChem CID118332103
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine
SMILESc1cncc(-c2cccc(-c3nc4ccccc4c4c3ccc3ccccc34)c2)c1
InChIInChI=1S/C28H18N2/c1-2-11-23-19(7-1)14-15-25-27(23)24-12-3-4-13-26(24)30-28(25)21-9-5-8-20(17-21)22-10-6-16-29-18-22/h1-18H
InChIKeyNKEODQBLVMPQAW-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-[3-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665527
3-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
CID 118332288
6-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122666027
6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine
CID 118332120
6-[4-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665786
6-phenyl-8-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]benzo[k]phenanthridine
CID 118332209
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 122665637
6-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 135199013
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-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine?
The IUPAC name of 6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine (CID 118332103) is 6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine.
What is the SMILES notation for 6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine?
The canonical SMILES for 6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine is c1cncc(-c2cccc(-c3nc4ccccc4c4c3ccc3ccccc34)c2)c1.
What is the InChIKey of 6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine?
The InChIKey is NKEODQBLVMPQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-2-11-23-19(7-1)14-15-25-27(23)24-12-3-4-13-26(24)30-28(25)21-9-5-8-20(17-21)22-10-6-16-29-18-22/h1-18H.
What are the key properties of 6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine?
6-(3-pyridin-3-ylphenyl)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-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine is sourced from PubChem (CID 118332103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).