6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine

C41H25N3 — CID 118332142

IUPAC6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine
SMILESc1cc(-c2ccncc2)nc(-c2c3ccccc3c(-c3nc4ccccc4c4c3ccc3ccccc34)c3ccccc23)c1
InChIInChI=1S/C41H25N3/c1-2-11-28-26(10-1)20-21-34-38(28)33-16-7-8-17-36(33)44-41(34)40-31-14-5-3-12-29(31)39(30-13-4-6-15-32(30)40)37-19-9-18-35(43-37)27-22-24-42-25-23-27/h1-25H
InChIKeyQZHTUIJNMGKZER-UHFFFAOYSA-N
MW559.67 g/mol
LogP10.64
Rot. Bonds3

About 6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine

6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine (PubChem CID 118332142) has the molecular formula C41H25N3 and a molecular weight of 559.67 g/mol. Its IUPAC name is 6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine
PubChem CID118332142
Molecular FormulaC41H25N3
Molecular Weight559.67 g/mol
Exact Mass559.20
IUPAC Name6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine
SMILESc1cc(-c2ccncc2)nc(-c2c3ccccc3c(-c3nc4ccccc4c4c3ccc3ccccc34)c3ccccc23)c1
InChIInChI=1S/C41H25N3/c1-2-11-28-26(10-1)20-21-34-38(28)33-16-7-8-17-36(33)44-41(34)40-31-14-5-3-12-29(31)39(30-13-4-6-15-32(30)40)37-19-9-18-35(43-37)27-22-24-42-25-23-27/h1-25H
InChIKeyQZHTUIJNMGKZER-UHFFFAOYSA-N
XLogP10.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 510.64
H-Bond Donors ≤ 50
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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Related Compounds

14-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129119553
6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine
CID 118332120
6-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-2-yl]benzo[k]phenanthridine
CID 126681876
6-[3-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665527
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 122665637
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-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
CID 122665899
6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine
CID 118332103
2-[6-phenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
CID 89177944
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665

Frequently Asked Questions

What is the IUPAC name of 6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine?
The IUPAC name of 6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine (CID 118332142) is 6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine?
The canonical SMILES for 6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine is c1cc(-c2ccncc2)nc(-c2c3ccccc3c(-c3nc4ccccc4c4c3ccc3ccccc34)c3ccccc23)c1.
What is the InChIKey of 6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine?
The InChIKey is QZHTUIJNMGKZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3/c1-2-11-28-26(10-1)20-21-34-38(28)33-16-7-8-17-36(33)44-41(34)40-31-14-5-3-12-29(31)39(30-13-4-6-15-32(30)40)37-19-9-18-35(43-37)27-22-24-42-25-23-27/h1-25H.
What are the key properties of 6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine?
6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine has a molecular weight of 559.67 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(6-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]benzo[k]phenanthridine is sourced from PubChem (CID 118332142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).