1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium

C27H21N3P+ — CID 177284190

IUPAC1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium
SMILESC1=NCc2ccnc([P+](c3ccccc3)(c3ccccc3)c3cccc4[nH]ccc34)c21
InChIInChI=1S/C27H21N3P/c1-3-8-21(9-4-1)31(22-10-5-2-6-11-22,26-13-7-12-25-23(26)15-17-29-25)27-24-19-28-18-20(24)14-16-30-27/h1-17,19,29H,18H2/q+1
InChIKeyODCQSYWLXRPRJD-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.11
Rot. Bonds4

About 1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium

1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium (PubChem CID 177284190) has the molecular formula C27H21N3P+ and a molecular weight of 418.46 g/mol. Its IUPAC name is 1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium.

Molecular Properties

Compound Name1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium
PubChem CID177284190
Molecular FormulaC27H21N3P+
Molecular Weight418.46 g/mol
Exact Mass418.15
IUPAC Name1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium
SMILESC1=NCc2ccnc([P+](c3ccccc3)(c3ccccc3)c3cccc4[nH]ccc34)c21
InChIInChI=1S/C27H21N3P/c1-3-8-21(9-4-1)31(22-10-5-2-6-11-22,26-13-7-12-25-23(26)15-17-29-25)27-24-19-28-18-20(24)14-16-30-27/h1-17,19,29H,18H2/q+1
InChIKeyODCQSYWLXRPRJD-UHFFFAOYSA-N
XLogP4.11
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium?
The IUPAC name of 1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium (CID 177284190) is 1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium.
What is the SMILES notation for 1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium?
The canonical SMILES for 1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium is C1=NCc2ccnc([P+](c3ccccc3)(c3ccccc3)c3cccc4[nH]ccc34)c21.
What is the InChIKey of 1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium?
The InChIKey is ODCQSYWLXRPRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3P/c1-3-8-21(9-4-1)31(22-10-5-2-6-11-22,26-13-7-12-25-23(26)15-17-29-25)27-24-19-28-18-20(24)14-16-30-27/h1-17,19,29H,18H2/q+1.
What are the key properties of 1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium?
1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium has a molecular weight of 418.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium is sourced from PubChem (CID 177284190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).