methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane

C28H26NP — CID 173255900

IUPACmethyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane
SMILESCn1c(P(C)(c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc21
InChIInChI=1S/C28H26NP/c1-29-27-21-13-12-14-23(27)22-28(29)30(2,24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-22H,1-2H3
InChIKeyKLQYOKZBSVBBHO-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.96
Rot. Bonds4

About methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane

methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane (PubChem CID 173255900) has the molecular formula C28H26NP and a molecular weight of 407.50 g/mol. Its IUPAC name is methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namemethyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane
PubChem CID173255900
Molecular FormulaC28H26NP
Molecular Weight407.50 g/mol
Exact Mass407.18
IUPAC Namemethyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane
SMILESCn1c(P(C)(c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc21
InChIInChI=1S/C28H26NP/c1-29-27-21-13-12-14-23(27)22-28(29)30(2,24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-22H,1-2H3
InChIKeyKLQYOKZBSVBBHO-UHFFFAOYSA-N
XLogP4.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 175336040
CID 175336040
benzene;1-methyl-2-phenylindole
CID 158316839
2-[bis(phenylsulfanyl)methyl]-1-methylindole
CID 15175184
N,1-dimethylindol-2-amine
CID 11744928
2-(bromomethyl)-1-methylindole
CID 58970525
2-ethynyl-1-methylindole
CID 12839097
5-(1-methylindol-2-yl)pyridin-3-amine
CID 58215579
1,2-dimethylindole;4-methylpyridine
CID 91261602
3-amino-1-methylquinolin-2-one
CID 19417653
3-iodo-1-methylquinolin-2-one
CID 15733001
1-methyl-2-propylindole
CID 13170349
3-cyclooctyl-1-methylquinolin-2-one
CID 166438845

Frequently Asked Questions

What is the IUPAC name of methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane?
The IUPAC name of methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane (CID 173255900) is methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane.
What is the SMILES notation for methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane?
The canonical SMILES for methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane is Cn1c(P(C)(c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc21.
What is the InChIKey of methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane?
The InChIKey is KLQYOKZBSVBBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26NP/c1-29-27-21-13-12-14-23(27)22-28(29)30(2,24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-22H,1-2H3.
What are the key properties of methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane?
methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane has a molecular weight of 407.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 173255900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).