9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene

C33H34 — CID 167484417

IUPAC9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene
SMILESC/C=C\C(=C/C)C1(C(/C=C\C(C)C)=C/C)c2ccccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C33H34/c1-6-14-27(7-2)33(28(8-3)21-19-24(4)5)31-18-13-12-17-29(31)30-22-20-26(23-32(30)33)25-15-10-9-11-16-25/h6-24H,1-5H3/b14-6-,21-19-,27-7+,28-8+
InChIKeyRLHMZHALCUCXIV-FBXXETMESA-N
MW430.64 g/mol
LogP9.30
Rot. Bonds6

About 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene

9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene (PubChem CID 167484417) has the molecular formula C33H34 and a molecular weight of 430.64 g/mol. Its IUPAC name is 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene.

Molecular Properties

Compound Name9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene
PubChem CID167484417
Molecular FormulaC33H34
Molecular Weight430.64 g/mol
Exact Mass430.27
IUPAC Name9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene
SMILESC/C=C\C(=C/C)C1(C(/C=C\C(C)C)=C/C)c2ccccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C33H34/c1-6-14-27(7-2)33(28(8-3)21-19-24(4)5)31-18-13-12-17-29(31)30-22-20-26(23-32(30)33)25-15-10-9-11-16-25/h6-24H,1-5H3/b14-6-,21-19-,27-7+,28-8+
InChIKeyRLHMZHALCUCXIV-FBXXETMESA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 59.30
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-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]-9,9'-spirobi[fluorene]
CID 144925252
2-(3,5-diphenylphenyl)-4-[3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-5-phenylphenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 144805599
9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene
CID 143006458
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369031
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
CID 155616798
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene
CID 143467691
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114

Frequently Asked Questions

What is the IUPAC name of 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene?
The IUPAC name of 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene (CID 167484417) is 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene.
What is the SMILES notation for 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene?
The canonical SMILES for 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene is C/C=C\C(=C/C)C1(C(/C=C\C(C)C)=C/C)c2ccccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene?
The InChIKey is RLHMZHALCUCXIV-FBXXETMESA-N. The full InChI is InChI=1S/C33H34/c1-6-14-27(7-2)33(28(8-3)21-19-24(4)5)31-18-13-12-17-29(31)30-22-20-26(23-32(30)33)25-15-10-9-11-16-25/h6-24H,1-5H3/b14-6-,21-19-,27-7+,28-8+.
What are the key properties of 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene?
9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene has a molecular weight of 430.64 g/mol, XLogP of 9.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene is sourced from PubChem (CID 167484417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).