3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine

C46H33N2OP — CID 134591822

IUPAC3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccccc3)nc3cc(P(=O)(c4ccccc4)c4ccccc4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
InChIInChI=1S/C46H33N2OP/c1-30-41-37-25-15-16-26-39(37)47-45(32-17-7-3-8-18-32)43(41)31(2)42-38-28-27-36(29-40(38)48-46(44(30)42)33-19-9-4-10-20-33)50(49,34-21-11-5-12-22-34)35-23-13-6-14-24-35/h3-29H,1-2H3
InChIKeyZAXDNCGYVSRHQT-UHFFFAOYSA-N
MW660.76 g/mol
LogP10.68
Rot. Bonds5

About 3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine

3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine (PubChem CID 134591822) has the molecular formula C46H33N2OP and a molecular weight of 660.76 g/mol. Its IUPAC name is 3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine.

Molecular Properties

Compound Name3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
PubChem CID134591822
Molecular FormulaC46H33N2OP
Molecular Weight660.76 g/mol
Exact Mass660.23
IUPAC Name3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccccc3)nc3cc(P(=O)(c4ccccc4)c4ccccc4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
InChIInChI=1S/C46H33N2OP/c1-30-41-37-25-15-16-26-39(37)47-45(32-17-7-3-8-18-32)43(41)31(2)42-38-28-27-36(29-40(38)48-46(44(30)42)33-19-9-4-10-20-33)50(49,34-21-11-5-12-22-34)35-23-13-6-14-24-35/h3-29H,1-2H3
InChIKeyZAXDNCGYVSRHQT-UHFFFAOYSA-N
XLogP10.68
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.76
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'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-diphenylphosphorylphenyl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595923
7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134595893
6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
CID 118332109
6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine
CID 134595926
11-diphenylphosphoryl-N,N,6-triphenylbenzo[k]phenanthridin-3-amine
CID 171054642
5-[4-(4-diphenylphosphorylphenyl)phenyl]-3-phenylbenzo[i][1,9]phenanthroline
CID 164810755
3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134591983
9-[3-(4-diphenylphosphorylphenyl)phenyl]-N,6-diphenylphenanthridin-10-amine
CID 164723869
11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine
CID 164767654
10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
CID 146548515
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The IUPAC name of 3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine (CID 134591822) is 3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine.
What is the SMILES notation for 3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The canonical SMILES for 3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine is Cc1c2c(-c3ccccc3)nc3cc(P(=O)(c4ccccc4)c4ccccc4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.
What is the InChIKey of 3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The InChIKey is ZAXDNCGYVSRHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N2OP/c1-30-41-37-25-15-16-26-39(37)47-45(32-17-7-3-8-18-32)43(41)31(2)42-38-28-27-36(29-40(38)48-46(44(30)42)33-19-9-4-10-20-33)50(49,34-21-11-5-12-22-34)35-23-13-6-14-24-35/h3-29H,1-2H3.
What are the key properties of 3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine has a molecular weight of 660.76 g/mol, XLogP of 10.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine is sourced from PubChem (CID 134591822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).