7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine

C44H30N4 — CID 134595926

IUPAC7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccc(-c4ccncc4)cc3)nc3ccccc3c2c(C)c2c(-c3ccc(-c4ccncc4)cc3)nc3ccccc3c12
InChIInChI=1S/C44H30N4/c1-27-39-35-7-3-5-9-37(35)48-44(34-17-13-30(14-18-34)32-21-25-46-26-22-32)42(39)28(2)40-36-8-4-6-10-38(36)47-43(41(27)40)33-15-11-29(12-16-33)31-19-23-45-24-20-31/h3-26H,1-2H3
InChIKeyWELJEEKPMQCYEA-UHFFFAOYSA-N
MW614.75 g/mol
LogP11.16
Rot. Bonds4

About 7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine

7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine (PubChem CID 134595926) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine.

Molecular Properties

Compound Name7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine
PubChem CID134595926
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccc(-c4ccncc4)cc3)nc3ccccc3c2c(C)c2c(-c3ccc(-c4ccncc4)cc3)nc3ccccc3c12
InChIInChI=1S/C44H30N4/c1-27-39-35-7-3-5-9-37(35)48-44(34-17-13-30(14-18-34)32-21-25-46-26-22-32)42(39)28(2)40-36-8-4-6-10-38(36)47-43(41(27)40)33-15-11-29(12-16-33)31-19-23-45-24-20-31/h3-26H,1-2H3
InChIKeyWELJEEKPMQCYEA-UHFFFAOYSA-N
XLogP11.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine
CID 160707890
7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134595893
3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134591983
3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134591822
3-(3,5-dipyridin-3-ylphenyl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595971
(1Z,3E)-4-[4-[7,14-dimethyl-6-(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridin-13-yl]phenyl]hexa-1,3,5-trien-1-amine
CID 163893350
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,14-dimethyl-6,13-dipyridin-3-ylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,14-dimethyl-6,13-dipyridin-3-ylquinolino[4,3-j]phenanthridine;bis(3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-dipyridin-3-ylquinolino[4,3-j]phenanthridine)
CID 159152596
7,14-dimethyl-6,13-diphenyl-3-(5-pyridin-2-yl-3-pyridinyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(5-pyridin-4-yl-3-pyridinyl)quinolino[4,3-j]phenanthridine;4-[5-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-3-pyridinyl]benzonitrile;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile
CID 159706674
2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride
CID 42918992
3-(3-diphenylphosphorylphenyl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595923
3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 160835453
7-methyl-6-(4-methylphenyl)phenanthridine
CID 135007702

Frequently Asked Questions

What is the IUPAC name of 7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine?
The IUPAC name of 7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine (CID 134595926) is 7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine.
What is the SMILES notation for 7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine?
The canonical SMILES for 7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine is Cc1c2c(-c3ccc(-c4ccncc4)cc3)nc3ccccc3c2c(C)c2c(-c3ccc(-c4ccncc4)cc3)nc3ccccc3c12.
What is the InChIKey of 7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine?
The InChIKey is WELJEEKPMQCYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-27-39-35-7-3-5-9-37(35)48-44(34-17-13-30(14-18-34)32-21-25-46-26-22-32)42(39)28(2)40-36-8-4-6-10-38(36)47-43(41(27)40)33-15-11-29(12-16-33)31-19-23-45-24-20-31/h3-26H,1-2H3.
What are the key properties of 7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine?
7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine has a molecular weight of 614.75 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine is sourced from PubChem (CID 134595926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).