2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene

C37H34 — CID 143467691

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene
SMILESC=C/C=C(\C=C/C)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(-c2ccccc2)ccc1-3
InChIInChI=1S/C37H34/c1-7-12-24(13-8-2)26-16-18-28-30-22-35-31(23-34(30)36(3,4)32(28)20-26)29-19-17-27(21-33(29)37(35,5)6)25-14-10-9-11-15-25/h7-23H,1H2,2-6H3/b13-8-,24-12+
InChIKeyVKCJYJPDWRSBGW-GMFBGQLQSA-N
MW478.68 g/mol
LogP10.11
Rot. Bonds4

About 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene (PubChem CID 143467691) has the molecular formula C37H34 and a molecular weight of 478.68 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene
PubChem CID143467691
Molecular FormulaC37H34
Molecular Weight478.68 g/mol
Exact Mass478.27
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene
SMILESC=C/C=C(\C=C/C)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(-c2ccccc2)ccc1-3
InChIInChI=1S/C37H34/c1-7-12-24(13-8-2)26-16-18-28-30-22-35-31(23-34(30)36(3,4)32(28)20-26)29-19-17-27(21-33(29)37(35,5)6)25-14-10-9-11-15-25/h7-23H,1H2,2-6H3/b13-8-,24-12+
InChIKeyVKCJYJPDWRSBGW-GMFBGQLQSA-N
XLogP10.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 510.11
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-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-phenyl-1,3,5-triazine
CID 139376554
4-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-N-phenyl-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 142540856
2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene
CID 145474559
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
9-(2,4-diphenylphenyl)-2,3-bis(ethenyl)-10-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylphenyl]anthracene
CID 145493781
2-[(1E,3E,5Z)-1-iodohepta-1,3,5-trien-4-yl]-9,9-dimethylfluorene
CID 89161500
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
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
9,9-dimethyl-7-naphthalen-1-yl-N-[(2Z,4E)-4-(4-phenylphenyl)hepta-2,4,6-trienyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 145298642
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 144979795

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene (CID 143467691) is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene is C=C/C=C(\C=C/C)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(-c2ccccc2)ccc1-3.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene?
The InChIKey is VKCJYJPDWRSBGW-GMFBGQLQSA-N. The full InChI is InChI=1S/C37H34/c1-7-12-24(13-8-2)26-16-18-28-30-22-35-31(23-34(30)36(3,4)32(28)20-26)29-19-17-27(21-33(29)37(35,5)6)25-14-10-9-11-15-25/h7-23H,1H2,2-6H3/b13-8-,24-12+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene?
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene has a molecular weight of 478.68 g/mol, XLogP of 10.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene is sourced from PubChem (CID 143467691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).