1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole

C38H32N2 — CID 141150269

IUPAC1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole
SMILESC=C(c1ccc(-c2ccccc2)cc1C(=C)c1ccccc1-c1cccn1C)c1ccccc1-c1cccn1C
InChIInChI=1S/C38H32N2/c1-27(31-16-8-10-18-34(31)37-20-12-24-39(37)3)33-23-22-30(29-14-6-5-7-15-29)26-36(33)28(2)32-17-9-11-19-35(32)38-21-13-25-40(38)4/h5-26H,1-2H2,3-4H3
InChIKeyNEFUROFHWIFUNW-UHFFFAOYSA-N
MW516.69 g/mol
LogP9.49
Rot. Bonds7

About 1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole

1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole (PubChem CID 141150269) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole
PubChem CID141150269
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole
SMILESC=C(c1ccc(-c2ccccc2)cc1C(=C)c1ccccc1-c1cccn1C)c1ccccc1-c1cccn1C
InChIInChI=1S/C38H32N2/c1-27(31-16-8-10-18-34(31)37-20-12-24-39(37)3)33-23-22-30(29-14-6-5-7-15-29)26-36(33)28(2)32-17-9-11-19-35(32)38-21-13-25-40(38)4/h5-26H,1-2H2,3-4H3
InChIKeyNEFUROFHWIFUNW-UHFFFAOYSA-N
XLogP9.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole?
The IUPAC name of 1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole (CID 141150269) is 1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole.
What is the SMILES notation for 1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole?
The canonical SMILES for 1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole is C=C(c1ccc(-c2ccccc2)cc1C(=C)c1ccccc1-c1cccn1C)c1ccccc1-c1cccn1C.
What is the InChIKey of 1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole?
The InChIKey is NEFUROFHWIFUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-27(31-16-8-10-18-34(31)37-20-12-24-39(37)3)33-23-22-30(29-14-6-5-7-15-29)26-36(33)28(2)32-17-9-11-19-35(32)38-21-13-25-40(38)4/h5-26H,1-2H2,3-4H3.
What are the key properties of 1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole?
1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole has a molecular weight of 516.69 g/mol, XLogP of 9.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[1-[2-[1-[2-(1-methylpyrrol-2-yl)phenyl]ethenyl]-4-phenylphenyl]ethenyl]phenyl]pyrrole is sourced from PubChem (CID 141150269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).