10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine

C24H19IN2 — CID 70902512

IUPAC10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine
SMILESIc1ccc2c(c1)N(C1C=CC=CC1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C24H19IN2/c25-18-15-16-23-24(17-18)27(20-11-5-2-6-12-20)22-14-8-7-13-21(22)26(23)19-9-3-1-4-10-19/h1-11,13-17,20H,12H2
InChIKeyYNYFPVJEZORXKR-UHFFFAOYSA-N
MW462.33 g/mol
LogP7.10
Rot. Bonds2

About 10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine

10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine (PubChem CID 70902512) has the molecular formula C24H19IN2 and a molecular weight of 462.33 g/mol. Its IUPAC name is 10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine.

Molecular Properties

Compound Name10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine
PubChem CID70902512
Molecular FormulaC24H19IN2
Molecular Weight462.33 g/mol
Exact Mass462.06
IUPAC Name10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine
SMILESIc1ccc2c(c1)N(C1C=CC=CC1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C24H19IN2/c25-18-15-16-23-24(17-18)27(20-11-5-2-6-12-20)22-14-8-7-13-21(22)26(23)19-9-3-1-4-10-19/h1-11,13-17,20H,12H2
InChIKeyYNYFPVJEZORXKR-UHFFFAOYSA-N
XLogP7.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.33
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine?
The IUPAC name of 10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine (CID 70902512) is 10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine.
What is the SMILES notation for 10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine?
The canonical SMILES for 10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine is Ic1ccc2c(c1)N(C1C=CC=CC1)c1ccccc1N2c1ccccc1.
What is the InChIKey of 10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine?
The InChIKey is YNYFPVJEZORXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19IN2/c25-18-15-16-23-24(17-18)27(20-11-5-2-6-12-20)22-14-8-7-13-21(22)26(23)19-9-3-1-4-10-19/h1-11,13-17,20H,12H2.
What are the key properties of 10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine?
10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine has a molecular weight of 462.33 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine is sourced from PubChem (CID 70902512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).