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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Related Compounds

11-[7-[(E)-2-[7-(10-cyclohexa-2,4-dien-1-ylphenazin-5-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071630
8-cyclohexa-2,4-dien-1-yl-5-cyclohex-3-en-1-yl-11,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 174117135
5-iodo-1-phenyl-3H-indol-2-one
CID 139061934
11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine
CID 139472248
4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 145320473
2-(9-cyclohexa-2,4-dien-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)-9-phenyl-4a,9a-dihydrocarbazole
CID 134390780
2-cyclohexa-2,4-dien-1-ylbenzotriazole
CID 163963893
[10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine
CID 142481543
11-(4a,9a-dihydrocarbazol-9-yl)-8-cyclohexa-1,3-dien-1-yl-14-cyclohexa-2,4-dien-1-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 174031398
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
2-iodo-5,10-dimethylphenazine
CID 70972708
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609

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).