1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine

C32H26N2 — CID 25068184

IUPAC1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine
SMILESCc1c(-c2ccccc2)c(/C=C/c2c(-c3ccccc3)c(C)c3ccccn23)n2ccccc12
InChIInChI=1S/C32H26N2/c1-23-27-17-9-11-21-33(27)29(31(23)25-13-5-3-6-14-25)19-20-30-32(26-15-7-4-8-16-26)24(2)28-18-10-12-22-34(28)30/h3-22H,1-2H3/b20-19+
InChIKeyUWAHPTHPBNONTR-FMQUCBEESA-N
MW438.57 g/mol
LogP8.31
Rot. Bonds4

About 1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine

1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine (PubChem CID 25068184) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine.

Molecular Properties

Compound Name1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine
PubChem CID25068184
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine
SMILESCc1c(-c2ccccc2)c(/C=C/c2c(-c3ccccc3)c(C)c3ccccn23)n2ccccc12
InChIInChI=1S/C32H26N2/c1-23-27-17-9-11-21-33(27)29(31(23)25-13-5-3-6-14-25)19-20-30-32(26-15-7-4-8-16-26)24(2)28-18-10-12-22-34(28)30/h3-22H,1-2H3/b20-19+
InChIKeyUWAHPTHPBNONTR-FMQUCBEESA-N
XLogP8.31
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3'-Diindolylmethane
CID 3071
Latrepirdine
CID 197033
Mebhydrolin
CID 22530
Decussine
CID 156336
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
Isocryptolepine
CID 380925
9-(4'-Aminophenyl)-9H-pyrido(3,4-b)indole
CID 154224
NOP agonist-2
CID 129188443
1-methyl-N,N-dimethyltryptamine
CID 25927
2-Phenylindolizine
CID 96128
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
Cryptocyanin
CID 5351156

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine?
The IUPAC name of 1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine (CID 25068184) is 1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine.
What is the SMILES notation for 1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine?
The canonical SMILES for 1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine is Cc1c(-c2ccccc2)c(/C=C/c2c(-c3ccccc3)c(C)c3ccccn23)n2ccccc12.
What is the InChIKey of 1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine?
The InChIKey is UWAHPTHPBNONTR-FMQUCBEESA-N. The full InChI is InChI=1S/C32H26N2/c1-23-27-17-9-11-21-33(27)29(31(23)25-13-5-3-6-14-25)19-20-30-32(26-15-7-4-8-16-26)24(2)28-18-10-12-22-34(28)30/h3-22H,1-2H3/b20-19+.
What are the key properties of 1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine?
1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine has a molecular weight of 438.57 g/mol, XLogP of 8.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine is sourced from PubChem (CID 25068184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).