6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine

C43H27N3 — CID 122666089

IUPAC6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cccc(-c3ccc(-c4cc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c5ccccc45)cc3)n2)nc1
InChIInChI=1S/C43H27N3/c1-2-11-31-26-32(24-19-28(31)10-1)43-37-27-36(33-12-3-4-13-34(33)42(37)35-14-5-6-15-39(35)46-43)29-20-22-30(23-21-29)38-17-9-18-41(45-38)40-16-7-8-25-44-40/h1-27H
InChIKeyNJMCBCYJHAEXRJ-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

About 6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine

6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine (PubChem CID 122666089) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine
PubChem CID122666089
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cccc(-c3ccc(-c4cc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c5ccccc45)cc3)n2)nc1
InChIInChI=1S/C43H27N3/c1-2-11-31-26-32(24-19-28(31)10-1)43-37-27-36(33-12-3-4-13-34(33)42(37)35-14-5-6-15-39(35)46-43)29-20-22-30(23-21-29)38-17-9-18-41(45-38)40-16-7-8-25-44-40/h1-27H
InChIKeyNJMCBCYJHAEXRJ-UHFFFAOYSA-N
XLogP11.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.15
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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Related Compounds

8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665988
8-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665606
8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665941
6-naphthalen-2-yl-8-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665702
8-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665222
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665355
8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665867
6-naphthalen-2-yl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665789
8-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665427
6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665734
6-naphthalen-2-yl-8-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666018
6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666016

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine (CID 122666089) is 6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine is c1ccc(-c2cccc(-c3ccc(-c4cc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c5ccccc45)cc3)n2)nc1.
What is the InChIKey of 6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine?
The InChIKey is NJMCBCYJHAEXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-2-11-31-26-32(24-19-28(31)10-1)43-37-27-36(33-12-3-4-13-34(33)42(37)35-14-5-6-15-39(35)46-43)29-20-22-30(23-21-29)38-17-9-18-41(45-38)40-16-7-8-25-44-40/h1-27H.
What are the key properties of 6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine?
6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine has a molecular weight of 585.71 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 122666089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).