1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine

C32H19N2P — CID 173181707

IUPAC1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine
SMILESC1=CC(c2ccc3pc4ccccc4cc3c2)C2=Nc3c(ccc4cc5ccccc5nc34)C2=C1
InChIInChI=1S/C32H19N2P/c1-3-10-27-20(6-1)17-22-12-14-26-25-9-5-8-24(31(25)34-32(26)30(22)33-27)19-13-15-29-23(16-19)18-21-7-2-4-11-28(21)35-29/h1-18,24H
InChIKeyMTHBJMODQCBOII-UHFFFAOYSA-N
MW462.49 g/mol
LogP9.10
Rot. Bonds1

About 1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine

1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine (PubChem CID 173181707) has the molecular formula C32H19N2P and a molecular weight of 462.49 g/mol. Its IUPAC name is 1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine.

Molecular Properties

Compound Name1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine
PubChem CID173181707
Molecular FormulaC32H19N2P
Molecular Weight462.49 g/mol
Exact Mass462.13
IUPAC Name1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine
SMILESC1=CC(c2ccc3pc4ccccc4cc3c2)C2=Nc3c(ccc4cc5ccccc5nc34)C2=C1
InChIInChI=1S/C32H19N2P/c1-3-10-27-20(6-1)17-22-12-14-26-25-9-5-8-24(31(25)34-32(26)30(22)33-27)19-13-15-29-23(16-19)18-21-7-2-4-11-28(21)35-29/h1-18,24H
InChIKeyMTHBJMODQCBOII-UHFFFAOYSA-N
XLogP9.10
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.49
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1H-indolo[3,2-c]acridine
CID 90122341
acridine
CID 21226281
4-methylacridin-3-ol
CID 135711163
2-quinolin-2-ylbenzo[b][1,10]phenanthroline
CID 11371746
2-methylbenzo[b][1,10]phenanthroline
CID 11615688
acridine;methane
CID 21324126
acridine;dihydrate
CID 172843020
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240
acridine;argon
CID 157415582
3-methylacridin-4-ol
CID 89346727
acridine;ethane
CID 123684759

Frequently Asked Questions

What is the IUPAC name of 1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine?
The IUPAC name of 1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine (CID 173181707) is 1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine.
What is the SMILES notation for 1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine?
The canonical SMILES for 1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine is C1=CC(c2ccc3pc4ccccc4cc3c2)C2=Nc3c(ccc4cc5ccccc5nc34)C2=C1.
What is the InChIKey of 1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine?
The InChIKey is MTHBJMODQCBOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N2P/c1-3-10-27-20(6-1)17-22-12-14-26-25-9-5-8-24(31(25)34-32(26)30(22)33-27)19-13-15-29-23(16-19)18-21-7-2-4-11-28(21)35-29/h1-18,24H.
What are the key properties of 1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine?
1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine has a molecular weight of 462.49 g/mol, XLogP of 9.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acridophosphin-2-yl-1H-indolo[3,2-c]acridine is sourced from PubChem (CID 173181707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).