2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine

C30H22N2 — CID 24764276

IUPAC2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine
SMILESC(=C/c1c(-c2ccccc2)cc2ccccn12)\c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C30H22N2/c1-3-11-23(12-4-1)27-21-25-15-7-9-19-31(25)29(27)17-18-30-28(24-13-5-2-6-14-24)22-26-16-8-10-20-32(26)30/h1-22H/b18-17+
InChIKeyAHRAVDHEQRODJC-ISLYRVAYSA-N
MW410.52 g/mol
LogP7.70
Rot. Bonds4

About 2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine

2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine (PubChem CID 24764276) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine.

Molecular Properties

Compound Name2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine
PubChem CID24764276
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine
SMILESC(=C/c1c(-c2ccccc2)cc2ccccn12)\c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C30H22N2/c1-3-11-23(12-4-1)27-21-25-15-7-9-19-31(25)29(27)17-18-30-28(24-13-5-2-6-14-24)22-26-16-8-10-20-32(26)30/h1-22H/b18-17+
InChIKeyAHRAVDHEQRODJC-ISLYRVAYSA-N
XLogP7.70
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.70
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
1-Phenyl-1H-indole
CID 182029
Benzylviologen
CID 14196
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
Isocryptolepine
CID 380925
Gevotroline
CID 60547
9-(4'-Aminophenyl)-9H-pyrido(3,4-b)indole
CID 154224
NOP agonist-2
CID 129188443
3-Indolecarboxylaldehyde, azine
CID 135400613

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine?
The IUPAC name of 2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine (CID 24764276) is 2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine.
What is the SMILES notation for 2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine?
The canonical SMILES for 2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine is C(=C/c1c(-c2ccccc2)cc2ccccn12)\c1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of 2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine?
The InChIKey is AHRAVDHEQRODJC-ISLYRVAYSA-N. The full InChI is InChI=1S/C30H22N2/c1-3-11-23(12-4-1)27-21-25-15-7-9-19-31(25)29(27)17-18-30-28(24-13-5-2-6-14-24)22-26-16-8-10-20-32(26)30/h1-22H/b18-17+.
What are the key properties of 2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine?
2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine has a molecular weight of 410.52 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine is sourced from PubChem (CID 24764276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).