7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine

C44H30N2 — CID 134595893

IUPAC7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccccc3)nc3cc(-c4cccc5ccccc45)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
InChIInChI=1S/C44H30N2/c1-27-39-35-21-11-12-23-37(35)45-43(30-15-5-3-6-16-30)41(39)28(2)40-36-25-24-32(34-22-13-19-29-14-9-10-20-33(29)34)26-38(36)46-44(42(27)40)31-17-7-4-8-18-31/h3-26H,1-2H3
InChIKeyLVGUMIMZKQVZTJ-UHFFFAOYSA-N
MW586.74 g/mol
LogP11.86
Rot. Bonds3

About 7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine

7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine (PubChem CID 134595893) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine.

Molecular Properties

Compound Name7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine
PubChem CID134595893
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccccc3)nc3cc(-c4cccc5ccccc45)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
InChIInChI=1S/C44H30N2/c1-27-39-35-21-11-12-23-37(35)45-43(30-15-5-3-6-16-30)41(39)28(2)40-36-25-24-32(34-22-13-19-29-14-9-10-20-33(29)34)26-38(36)46-44(42(27)40)31-17-7-4-8-18-31/h3-26H,1-2H3
InChIKeyLVGUMIMZKQVZTJ-UHFFFAOYSA-N
XLogP11.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134591983
18-(10-naphthalen-1-ylanthracen-9-yl)-22-phenyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 118546448
3-(3-diphenylphosphorylphenyl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595923
7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine
CID 134595926
3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134591822
7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine
CID 134595966
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
3-(3,5-dipyridin-3-ylphenyl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595971
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-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-9,9-diphenylfluorene-2-carbonitrile
CID 134595963
7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline
CID 159038864
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349

Frequently Asked Questions

What is the IUPAC name of 7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The IUPAC name of 7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine (CID 134595893) is 7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine.
What is the SMILES notation for 7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The canonical SMILES for 7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine is Cc1c2c(-c3ccccc3)nc3cc(-c4cccc5ccccc45)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.
What is the InChIKey of 7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The InChIKey is LVGUMIMZKQVZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-27-39-35-21-11-12-23-37(35)45-43(30-15-5-3-6-16-30)41(39)28(2)40-36-25-24-32(34-22-13-19-29-14-9-10-20-33(29)34)26-38(36)46-44(42(27)40)31-17-7-4-8-18-31/h3-26H,1-2H3.
What are the key properties of 7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine?
7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine has a molecular weight of 586.74 g/mol, XLogP of 11.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine is sourced from PubChem (CID 134595893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).