cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene

C54H56 — CID 144827397

IUPACcyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene
SMILESC/C=C(\C=C/Cc1ccc2c(c1)C(CC)(CC)c1cc(C)ccc1-2)c1ccccc1.C1=CC(c2ccccc2)=CCC1.C=C/C=C\C=C/c1ccccc1
InChIInChI=1S/C30H32.2C12H12/c1-5-24(25-13-9-8-10-14-25)15-11-12-23-17-19-27-26-18-16-22(4)20-28(26)30(6-2,7-3)29(27)21-23;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-6-9-12-10-7-5-8-11-12/h5,8-11,13-21H,6-7,12H2,1-4H3;1,3-5,7-10H,2,6H2;2-11H,1H2/b15-11-,24-5+;;4-3-,9-6-
InChIKeyPRUGNIATLNJMRK-QNTQTPIUSA-N
MW705.04 g/mol
LogP15.15
Rot. Bonds10

About cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene

cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene (PubChem CID 144827397) has the molecular formula C54H56 and a molecular weight of 705.04 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene
PubChem CID144827397
Molecular FormulaC54H56
Molecular Weight705.04 g/mol
Exact Mass704.44
IUPAC Namecyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene
SMILESC/C=C(\C=C/Cc1ccc2c(c1)C(CC)(CC)c1cc(C)ccc1-2)c1ccccc1.C1=CC(c2ccccc2)=CCC1.C=C/C=C\C=C/c1ccccc1
InChIInChI=1S/C30H32.2C12H12/c1-5-24(25-13-9-8-10-14-25)15-11-12-23-17-19-27-26-18-16-22(4)20-28(26)30(6-2,7-3)29(27)21-23;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-6-9-12-10-7-5-8-11-12/h5,8-11,13-21H,6-7,12H2,1-4H3;1,3-5,7-10H,2,6H2;2-11H,1H2/b15-11-,24-5+;;4-3-,9-6-
InChIKeyPRUGNIATLNJMRK-QNTQTPIUSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.04
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene with MolForge

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Related Compounds

4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 143295894
3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene
CID 178165636
acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane
CID 168915570
butane;cyclohexa-1,5-dien-1-ylbenzene;2-ethenyl-1-[2-methyl-4-(3-methylphenyl)phenyl]-1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indene;(Z)-1-(4-phenylphenyl)but-1-ene-1-thiol
CID 142469832
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143808839
7-[(E)-2-[4-[4-[cyclohexa-1,5-dien-1-yl(diphenyl)methyl]phenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89067093
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene
CID 145474559
9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067087
1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methyl-5-[(2Z,4E)-1-phenylocta-2,4-dien-7-yn-4-yl]benzene
CID 145018452
5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine
CID 134257149

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene?
The IUPAC name of cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene (CID 144827397) is cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene?
The canonical SMILES for cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene is C/C=C(\C=C/Cc1ccc2c(c1)C(CC)(CC)c1cc(C)ccc1-2)c1ccccc1.C1=CC(c2ccccc2)=CCC1.C=C/C=C\C=C/c1ccccc1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene?
The InChIKey is PRUGNIATLNJMRK-QNTQTPIUSA-N. The full InChI is InChI=1S/C30H32.2C12H12/c1-5-24(25-13-9-8-10-14-25)15-11-12-23-17-19-27-26-18-16-22(4)20-28(26)30(6-2,7-3)29(27)21-23;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-6-9-12-10-7-5-8-11-12/h5,8-11,13-21H,6-7,12H2,1-4H3;1,3-5,7-10H,2,6H2;2-11H,1H2/b15-11-,24-5+;;4-3-,9-6-.
What are the key properties of cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene?
cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene has a molecular weight of 705.04 g/mol, XLogP of 15.15, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylbenzene;9,9-diethyl-2-methyl-7-[(2Z,4E)-4-phenylhexa-2,4-dienyl]fluorene;[(1Z,3Z)-hexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 144827397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).