1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene

C27H28 — CID 144639750

IUPAC1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene
SMILESC=CC1=C(/C=C\CC)C2=C(CCC=C2)C1(C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C27H28/c1-3-5-18-23-24-19-12-13-20-26(24)27(25(23)4-2,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h4-10,12,14-16,18-19H,2-3,11,13,17,20H2,1H3/b18-5-
InChIKeyZHCCHQVYCUZHIE-DVZOWYKESA-N
MW352.52 g/mol
LogP7.31
Rot. Bonds5

About 1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene

1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene (PubChem CID 144639750) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene.

Molecular Properties

Compound Name1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene
PubChem CID144639750
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene
SMILESC=CC1=C(/C=C\CC)C2=C(CCC=C2)C1(C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C27H28/c1-3-5-18-23-24-19-12-13-20-26(24)27(25(23)4-2,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h4-10,12,14-16,18-19H,2-3,11,13,17,20H2,1H3/b18-5-
InChIKeyZHCCHQVYCUZHIE-DVZOWYKESA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-cyclohexa-1,3-dien-1-yl-2-methyl-9-phenyl-1,2-dihydrofluorene
CID 142567565
1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
CID 166825100
5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 70920652
3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine
CID 142384982
N'-[N-[(E)-3-[3,3-diphenyl-1-[(Z)-prop-1-enyl]-4,5-dihydroinden-2-yl]prop-2-enyl]-C-(3-phenylphenyl)carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 146477838
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
CID 145291950
CID 145291950
2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 123521106
5-[4-(13-cyclohexa-1,3-dien-1-yl-13,16-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13,16-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 88957667
N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine
CID 170096450
9,9-diphenylfluorene;propane
CID 158205050

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene?
The IUPAC name of 1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene (CID 144639750) is 1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene.
What is the SMILES notation for 1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene?
The canonical SMILES for 1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene is C=CC1=C(/C=C\CC)C2=C(CCC=C2)C1(C1=CC=CCC1)c1ccccc1.
What is the InChIKey of 1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene?
The InChIKey is ZHCCHQVYCUZHIE-DVZOWYKESA-N. The full InChI is InChI=1S/C27H28/c1-3-5-18-23-24-19-12-13-20-26(24)27(25(23)4-2,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h4-10,12,14-16,18-19H,2-3,11,13,17,20H2,1H3/b18-5-.
What are the key properties of 1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene?
1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene has a molecular weight of 352.52 g/mol, XLogP of 7.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene is sourced from PubChem (CID 144639750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).