1-benzo[c][2,1]benzoxaphosphinin-6-ylindole

C20H14NOP — CID 20756493

IUPAC1-benzo[c][2,1]benzoxaphosphinin-6-ylindole
SMILESc1ccc2c(c1)OP(n1ccc3ccccc31)c1ccccc1-2
InChIInChI=1S/C20H14NOP/c1-4-10-18-15(7-1)13-14-21(18)23-20-12-6-3-9-17(20)16-8-2-5-11-19(16)22-23/h1-14H
InChIKeyADOQAAWWYVLOAS-UHFFFAOYSA-N
MW315.31 g/mol
LogP5.19
Rot. Bonds1

About 1-benzo[c][2,1]benzoxaphosphinin-6-ylindole

1-benzo[c][2,1]benzoxaphosphinin-6-ylindole (PubChem CID 20756493) has the molecular formula C20H14NOP and a molecular weight of 315.31 g/mol. Its IUPAC name is 1-benzo[c][2,1]benzoxaphosphinin-6-ylindole.

Molecular Properties

Compound Name1-benzo[c][2,1]benzoxaphosphinin-6-ylindole
PubChem CID20756493
Molecular FormulaC20H14NOP
Molecular Weight315.31 g/mol
Exact Mass315.08
IUPAC Name1-benzo[c][2,1]benzoxaphosphinin-6-ylindole
SMILESc1ccc2c(c1)OP(n1ccc3ccccc31)c1ccccc1-2
InChIInChI=1S/C20H14NOP/c1-4-10-18-15(7-1)13-14-21(18)23-20-12-6-3-9-17(20)16-8-2-5-11-19(16)22-23/h1-14H
InChIKeyADOQAAWWYVLOAS-UHFFFAOYSA-N
XLogP5.19
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.31
LogP ≤ 55.19
H-Bond Donors ≤ 50
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 1-benzo[c][2,1]benzoxaphosphinin-6-ylindole?
The IUPAC name of 1-benzo[c][2,1]benzoxaphosphinin-6-ylindole (CID 20756493) is 1-benzo[c][2,1]benzoxaphosphinin-6-ylindole.
What is the SMILES notation for 1-benzo[c][2,1]benzoxaphosphinin-6-ylindole?
The canonical SMILES for 1-benzo[c][2,1]benzoxaphosphinin-6-ylindole is c1ccc2c(c1)OP(n1ccc3ccccc31)c1ccccc1-2.
What is the InChIKey of 1-benzo[c][2,1]benzoxaphosphinin-6-ylindole?
The InChIKey is ADOQAAWWYVLOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14NOP/c1-4-10-18-15(7-1)13-14-21(18)23-20-12-6-3-9-17(20)16-8-2-5-11-19(16)22-23/h1-14H.
What are the key properties of 1-benzo[c][2,1]benzoxaphosphinin-6-ylindole?
1-benzo[c][2,1]benzoxaphosphinin-6-ylindole has a molecular weight of 315.31 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[c][2,1]benzoxaphosphinin-6-ylindole is sourced from PubChem (CID 20756493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).