1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene

C36H35N — CID 160992457

IUPAC1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene
SMILESC/C=C/C.Cc1ccc(-c2ccc(-c3ccc(/C=C/c4ccccc4)cc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H27N.C4H8/c1-24-8-16-28(17-9-24)31-22-23-32(33(31)30-20-10-25(2)11-21-30)29-18-14-27(15-19-29)13-12-26-6-4-3-5-7-26;1-3-4-2/h3-23H,1-2H3;3-4H,1-2H3/b13-12+;4-3+
InChIKeyTUUVTXUOOXWOMZ-WIYRWWQASA-N
MW481.68 g/mol
LogP10.18
Rot. Bonds5

About 1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene

1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene (PubChem CID 160992457) has the molecular formula C36H35N and a molecular weight of 481.68 g/mol. Its IUPAC name is 1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene.

Molecular Properties

Compound Name1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene
PubChem CID160992457
Molecular FormulaC36H35N
Molecular Weight481.68 g/mol
Exact Mass481.28
IUPAC Name1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene
SMILESC/C=C/C.Cc1ccc(-c2ccc(-c3ccc(/C=C/c4ccccc4)cc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H27N.C4H8/c1-24-8-16-28(17-9-24)31-22-23-32(33(31)30-20-10-25(2)11-21-30)29-18-14-27(15-19-29)13-12-26-6-4-3-5-7-26;1-3-4-2/h3-23H,1-2H3;3-4H,1-2H3/b13-12+;4-3+
InChIKeyTUUVTXUOOXWOMZ-WIYRWWQASA-N
XLogP10.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole
CID 72640522
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
2-(4-methylphenyl)-1,3,4-triphenyl-5-[4-[(E)-prop-1-enyl]phenyl]pyrrole
CID 166512404
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
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733
2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58489476
2-(4-chlorophenyl)-1,5-diphenylpyrrole
CID 12741718
3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole
CID 143904791
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
9-[4-[(E)-prop-1-enyl]phenyl]carbazole
CID 58370912
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene?
The IUPAC name of 1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene (CID 160992457) is 1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene.
What is the SMILES notation for 1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene?
The canonical SMILES for 1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene is C/C=C/C.Cc1ccc(-c2ccc(-c3ccc(/C=C/c4ccccc4)cc3)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene?
The InChIKey is TUUVTXUOOXWOMZ-WIYRWWQASA-N. The full InChI is InChI=1S/C32H27N.C4H8/c1-24-8-16-28(17-9-24)31-22-23-32(33(31)30-20-10-25(2)11-21-30)29-18-14-27(15-19-29)13-12-26-6-4-3-5-7-26;1-3-4-2/h3-23H,1-2H3;3-4H,1-2H3/b13-12+;4-3+.
What are the key properties of 1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene?
1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene has a molecular weight of 481.68 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene is sourced from PubChem (CID 160992457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).