2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene

C35H32 — CID 144938511

IUPAC2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene
SMILESC=C/C=C\C1=C(C)c2ccc(-c3ccccc3)cc2C1(c1ccc(C)cc1)c1ccc(CC)cc1
InChIInChI=1S/C35H32/c1-5-7-13-33-26(4)32-23-18-29(28-11-9-8-10-12-28)24-34(32)35(33,30-19-14-25(3)15-20-30)31-21-16-27(6-2)17-22-31/h5,7-24H,1,6H2,2-4H3/b13-7-
InChIKeyHTYPVAVKYSAZTC-QPEQYQDCSA-N
MW452.64 g/mol
LogP9.09
Rot. Bonds6

About 2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene

2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene (PubChem CID 144938511) has the molecular formula C35H32 and a molecular weight of 452.64 g/mol. Its IUPAC name is 2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene.

Molecular Properties

Compound Name2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene
PubChem CID144938511
Molecular FormulaC35H32
Molecular Weight452.64 g/mol
Exact Mass452.25
IUPAC Name2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene
SMILESC=C/C=C\C1=C(C)c2ccc(-c3ccccc3)cc2C1(c1ccc(C)cc1)c1ccc(CC)cc1
InChIInChI=1S/C35H32/c1-5-7-13-33-26(4)32-23-18-29(28-11-9-8-10-12-28)24-34(32)35(33,30-19-14-25(3)15-20-30)31-21-16-27(6-2)17-22-31/h5,7-24H,1,6H2,2-4H3/b13-7-
InChIKeyHTYPVAVKYSAZTC-QPEQYQDCSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(1Z)-buta-1,3-dienyl]-1-methyl-3,3-diphenylindene-5-thiol
CID 170227138
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
CID 144939111
2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]
CID 154561467
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
3-[3-(4-ethylphenyl)phenyl]-9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9-phenylfluorene
CID 142385277
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140756930
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene?
The IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene (CID 144938511) is 2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene.
What is the SMILES notation for 2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene?
The canonical SMILES for 2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene is C=C/C=C\C1=C(C)c2ccc(-c3ccccc3)cc2C1(c1ccc(C)cc1)c1ccc(CC)cc1.
What is the InChIKey of 2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene?
The InChIKey is HTYPVAVKYSAZTC-QPEQYQDCSA-N. The full InChI is InChI=1S/C35H32/c1-5-7-13-33-26(4)32-23-18-29(28-11-9-8-10-12-28)24-34(32)35(33,30-19-14-25(3)15-20-30)31-21-16-27(6-2)17-22-31/h5,7-24H,1,6H2,2-4H3/b13-7-.
What are the key properties of 2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene?
2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene has a molecular weight of 452.64 g/mol, XLogP of 9.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene is sourced from PubChem (CID 144938511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).