1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole

C41H35N — CID 72640522

IUPAC1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole
SMILESCc1ccc(C=Cc2ccc(-c3ccc(-c4ccc(C=Cc5ccc(C)cc5)cc4)n3-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C41H35N/c1-30-4-10-33(11-5-30)14-16-35-18-22-37(23-19-35)40-28-29-41(42(40)39-26-8-32(3)9-27-39)38-24-20-36(21-25-38)17-15-34-12-6-31(2)7-13-34/h4-29H,1-3H3
InChIKeyAOOUOYPVJBINNE-UHFFFAOYSA-N
MW541.74 g/mol
LogP11.08
Rot. Bonds7

About 1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole

1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole (PubChem CID 72640522) has the molecular formula C41H35N and a molecular weight of 541.74 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole.

Molecular Properties

Compound Name1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole
PubChem CID72640522
Molecular FormulaC41H35N
Molecular Weight541.74 g/mol
Exact Mass541.28
IUPAC Name1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole
SMILESCc1ccc(C=Cc2ccc(-c3ccc(-c4ccc(C=Cc5ccc(C)cc5)cc4)n3-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C41H35N/c1-30-4-10-33(11-5-30)14-16-35-18-22-37(23-19-35)40-28-29-41(42(40)39-26-8-32(3)9-27-39)38-24-20-36(21-25-38)17-15-34-12-6-31(2)7-13-34/h4-29H,1-3H3
InChIKeyAOOUOYPVJBINNE-UHFFFAOYSA-N
XLogP11.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene
CID 160992457
9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
CID 140923989
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
3-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
9-[3-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]carbazole
CID 58489426
2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58489476
2-methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole
CID 10663833
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole?
The IUPAC name of 1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole (CID 72640522) is 1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole.
What is the SMILES notation for 1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole?
The canonical SMILES for 1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole is Cc1ccc(C=Cc2ccc(-c3ccc(-c4ccc(C=Cc5ccc(C)cc5)cc4)n3-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole?
The InChIKey is AOOUOYPVJBINNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N/c1-30-4-10-33(11-5-30)14-16-35-18-22-37(23-19-35)40-28-29-41(42(40)39-26-8-32(3)9-27-39)38-24-20-36(21-25-38)17-15-34-12-6-31(2)7-13-34/h4-29H,1-3H3.
What are the key properties of 1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole?
1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole has a molecular weight of 541.74 g/mol, XLogP of 11.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole is sourced from PubChem (CID 72640522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).