9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole

C33H20IN5O — CID 58609368

IUPAC9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole
SMILESIc1ccccc1Oc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C33H20IN5O/c34-25-15-5-10-20-30(25)40-33-36-31(38-26-16-6-1-11-21(26)22-12-2-7-17-27(22)38)35-32(37-33)39-28-18-8-3-13-23(28)24-14-4-9-19-29(24)39/h1-20H
InChIKeyTVEHEENSOAJALJ-UHFFFAOYSA-N
MW629.46 g/mol
LogP8.46
Rot. Bonds4

About 9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole

9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole (PubChem CID 58609368) has the molecular formula C33H20IN5O and a molecular weight of 629.46 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole
PubChem CID58609368
Molecular FormulaC33H20IN5O
Molecular Weight629.46 g/mol
Exact Mass629.07
IUPAC Name9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole
SMILESIc1ccccc1Oc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C33H20IN5O/c34-25-15-5-10-20-30(25)40-33-36-31(38-26-16-6-1-11-21(26)22-12-2-7-17-27(22)38)35-32(37-33)39-28-18-8-3-13-23(28)24-14-4-9-19-29(24)39/h1-20H
InChIKeyTVEHEENSOAJALJ-UHFFFAOYSA-N
XLogP8.46
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.46
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole (CID 58609368) is 9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole is Ic1ccccc1Oc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is TVEHEENSOAJALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20IN5O/c34-25-15-5-10-20-30(25)40-33-36-31(38-26-16-6-1-11-21(26)22-12-2-7-17-27(22)38)35-32(37-33)39-28-18-8-3-13-23(28)24-14-4-9-19-29(24)39/h1-20H.
What are the key properties of 9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 629.46 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-(2-iodophenoxy)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 58609368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).