iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium

C32H26IN2O2V- — CID 157499286

IUPACiodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium
SMILESCn1c(-c2ccccc2)c(C=O)c2ccccc21.O=Cc1c(-c2ccccc2)[nH]c2ccccc12.[CH2-]I.[V]
InChIInChI=1S/C16H13NO.C15H11NO.CH2I.V/c1-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12;17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11;1-2;/h2-11H,1H3;1-10,16H;1H2;/q;;-1;
InChIKeyRBTHFNNNFDENGM-UHFFFAOYSA-N
MW648.42 g/mol
LogP8.52
Rot. Bonds4

About iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium

iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium (PubChem CID 157499286) has the molecular formula C32H26IN2O2V- and a molecular weight of 648.42 g/mol. Its IUPAC name is iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium.

Molecular Properties

Compound Nameiodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium
PubChem CID157499286
Molecular FormulaC32H26IN2O2V-
Molecular Weight648.42 g/mol
Exact Mass648.05
IUPAC Nameiodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium
SMILESCn1c(-c2ccccc2)c(C=O)c2ccccc21.O=Cc1c(-c2ccccc2)[nH]c2ccccc12.[CH2-]I.[V]
InChIInChI=1S/C16H13NO.C15H11NO.CH2I.V/c1-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12;17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11;1-2;/h2-11H,1H3;1-10,16H;1H2;/q;;-1;
InChIKeyRBTHFNNNFDENGM-UHFFFAOYSA-N
XLogP8.52
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.42
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Formylindolo(3,2-b)carbazole
CID 1863
1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
CID 74468
3-Formyl-2-methylindole
CID 73166
2-Phenylindole-3-carboxaldehyde
CID 613305
N,1-dimethyl-2-{[1-methyl-3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl}-1H-indole-3-carboxamide
CID 5328100
N-methyl-2-{[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl}-1H-indole-3-carboxamide
CID 5328102
2-((1H-indol-3-yl)methyl)-1H-indole-3-carbaldehyde
CID 10265357
Bisindigotin
CID 135545472
Homofascaplysin C
CID 378603
(2Z)-1-acetyl-2-[3-[2-(3-oxoindol-2-yl)-1H-indol-3-yl]indol-2-ylidene]indol-3-one
CID 135497157
N-[2-(diethylamino)ethyl]-2-[(3-{[2-(diethylamino)ethyl]carbamoyl}-1-methyl-1H-indol-2-yl)diselanyl]-1-methyl-1H-indole-3-carboxamide
CID 5328101
N-[2-(diethylamino)ethyl]-2-[(3-{[2-(diethylamino)ethyl]carbamoyl}-1H-indol-2-yl)diselanyl]-1H-indole-3-carboxamide
CID 5328103

Frequently Asked Questions

What is the IUPAC name of iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium?
The IUPAC name of iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium (CID 157499286) is iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium.
What is the SMILES notation for iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium?
The canonical SMILES for iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium is Cn1c(-c2ccccc2)c(C=O)c2ccccc21.O=Cc1c(-c2ccccc2)[nH]c2ccccc12.[CH2-]I.[V].
What is the InChIKey of iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium?
The InChIKey is RBTHFNNNFDENGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO.C15H11NO.CH2I.V/c1-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12;17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11;1-2;/h2-11H,1H3;1-10,16H;1H2;/q;;-1;.
What are the key properties of iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium?
iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium has a molecular weight of 648.42 g/mol, XLogP of 8.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;1-methyl-2-phenylindole-3-carbaldehyde;2-phenyl-1H-indole-3-carbaldehyde;vanadium is sourced from PubChem (CID 157499286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).