1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene

C30H23I — CID 90306652

IUPAC1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene
SMILESIc1ccc(C=Cc2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H23I/c31-29-22-20-26(21-23-29)19-18-25-16-14-24(15-17-25)8-7-13-30(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-23H
InChIKeyGDJDGLMMKZKDKF-UHFFFAOYSA-N
MW510.42 g/mol
LogP8.61
Rot. Bonds6

About 1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene

1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene (PubChem CID 90306652) has the molecular formula C30H23I and a molecular weight of 510.42 g/mol. Its IUPAC name is 1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene
PubChem CID90306652
Molecular FormulaC30H23I
Molecular Weight510.42 g/mol
Exact Mass510.08
IUPAC Name1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene
SMILESIc1ccc(C=Cc2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H23I/c31-29-22-20-26(21-23-29)19-18-25-16-14-24(15-17-25)8-7-13-30(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-23H
InChIKeyGDJDGLMMKZKDKF-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.42
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline
CID 76826404
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]aniline;ethane
CID 163992333
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-bis[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]aniline
CID 87948560
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]-N-phenylaniline
CID 87948616
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-diphenylaniline
CID 23069421
4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-[4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]phenyl]-N-phenylaniline
CID 91386727
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
CID 54461178
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene?
The IUPAC name of 1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene (CID 90306652) is 1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene.
What is the SMILES notation for 1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene?
The canonical SMILES for 1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene is Ic1ccc(C=Cc2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene?
The InChIKey is GDJDGLMMKZKDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23I/c31-29-22-20-26(21-23-29)19-18-25-16-14-24(15-17-25)8-7-13-30(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-23H.
What are the key properties of 1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene?
1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene has a molecular weight of 510.42 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene is sourced from PubChem (CID 90306652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).