8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine

C36H25I2N5 — CID 25222637

IUPAC8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine
SMILESIc1ccc2c(c1)N(c1ccccc1)c1cc(Nc3ccc4c(c3)N(c3ccccc3)c3cc(I)ccc3N4)ccc1N2
InChIInChI=1S/C36H25I2N5/c37-23-11-15-29-33(19-23)42(27-7-3-1-4-8-27)35-21-25(13-17-31(35)40-29)39-26-14-18-32-36(22-26)43(28-9-5-2-6-10-28)34-20-24(38)12-16-30(34)41-32/h1-22,39-41H
InChIKeyFEZOTOKVPNJSPX-UHFFFAOYSA-N
MW781.44 g/mol
LogP11.69
Rot. Bonds4

About 8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine

8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine (PubChem CID 25222637) has the molecular formula C36H25I2N5 and a molecular weight of 781.44 g/mol. Its IUPAC name is 8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine.

Molecular Properties

Compound Name8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine
PubChem CID25222637
Molecular FormulaC36H25I2N5
Molecular Weight781.44 g/mol
Exact Mass781.02
IUPAC Name8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine
SMILESIc1ccc2c(c1)N(c1ccccc1)c1cc(Nc3ccc4c(c3)N(c3ccccc3)c3cc(I)ccc3N4)ccc1N2
InChIInChI=1S/C36H25I2N5/c37-23-11-15-29-33(19-23)42(27-7-3-1-4-8-27)35-21-25(13-17-31(35)40-29)39-26-14-18-32-36(22-26)43(28-9-5-2-6-10-28)34-20-24(38)12-16-30(34)41-32/h1-22,39-41H
InChIKeyFEZOTOKVPNJSPX-UHFFFAOYSA-N
XLogP11.69
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.44
LogP ≤ 511.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine?
The IUPAC name of 8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine (CID 25222637) is 8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine.
What is the SMILES notation for 8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine?
The canonical SMILES for 8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine is Ic1ccc2c(c1)N(c1ccccc1)c1cc(Nc3ccc4c(c3)N(c3ccccc3)c3cc(I)ccc3N4)ccc1N2.
What is the InChIKey of 8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine?
The InChIKey is FEZOTOKVPNJSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25I2N5/c37-23-11-15-29-33(19-23)42(27-7-3-1-4-8-27)35-21-25(13-17-31(35)40-29)39-26-14-18-32-36(22-26)43(28-9-5-2-6-10-28)34-20-24(38)12-16-30(34)41-32/h1-22,39-41H.
What are the key properties of 8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine?
8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine has a molecular weight of 781.44 g/mol, XLogP of 11.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-N-(8-iodo-10-phenyl-5H-phenazin-2-yl)-10-phenyl-5H-phenazin-2-amine is sourced from PubChem (CID 25222637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).