4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole

C23H30N2 — CID 101376426

IUPAC4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole
SMILESCCc1c(C)[nH]c(C(c2ccccc2)c2[nH]c(C)c(CC)c2C)c1C
InChIInChI=1S/C23H30N2/c1-7-19-14(3)22(24-16(19)5)21(18-12-10-9-11-13-18)23-15(4)20(8-2)17(6)25-23/h9-13,21,24-25H,7-8H2,1-6H3
InChIKeyWXJMJWUBZZTIEC-UHFFFAOYSA-N
MW334.51 g/mol
LogP5.88
Rot. Bonds5

About 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole

4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole (PubChem CID 101376426) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole
PubChem CID101376426
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole
SMILESCCc1c(C)[nH]c(C(c2ccccc2)c2[nH]c(C)c(CC)c2C)c1C
InChIInChI=1S/C23H30N2/c1-7-19-14(3)22(24-16(19)5)21(18-12-10-9-11-13-18)23-15(4)20(8-2)17(6)25-23/h9-13,21,24-25H,7-8H2,1-6H3
InChIKeyWXJMJWUBZZTIEC-UHFFFAOYSA-N
XLogP5.88
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole with MolForge

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Related Compounds

ethyl 5-[(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,4-diethyl-1H-pyrrole-2-carboxylate
CID 23404533
lithium benzhydrylbenzene
CID 18381038
4-ethyl-3,5-dimethyl-1H-pyrrole-2-thiol
CID 130010160
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
5-[(5-carboxy-3-methyl-1H-pyrrol-2-yl)-phenylmethyl]-4-methyl-1H-pyrrole-2-carboxylic acid
CID 10759439
2,3-diethyl-1,4-dimethylnaphthalene
CID 59270753
2,3-diethyl-1-methyl-4-propylnaphthalene
CID 139700920
5-[(5-carboxy-3,4-dimethyl-1H-pyrrol-2-yl)-(4-hydroxyphenyl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid
CID 163299694
azane;benzhydrylbenzene
CID 70581647
3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one
CID 63927480
benzyl 4-(3-ethoxy-3-oxopropyl)-5-[[3-(3-ethoxy-3-oxopropyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]-phenylmethyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 10556810
5-ethyl-6-methyl-2-(phenylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106476940

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole?
The IUPAC name of 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole (CID 101376426) is 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole.
What is the SMILES notation for 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole?
The canonical SMILES for 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole is CCc1c(C)[nH]c(C(c2ccccc2)c2[nH]c(C)c(CC)c2C)c1C.
What is the InChIKey of 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole?
The InChIKey is WXJMJWUBZZTIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-7-19-14(3)22(24-16(19)5)21(18-12-10-9-11-13-18)23-15(4)20(8-2)17(6)25-23/h9-13,21,24-25H,7-8H2,1-6H3.
What are the key properties of 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole?
4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole has a molecular weight of 334.51 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,5-dimethyl-1H-pyrrole is sourced from PubChem (CID 101376426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).