9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene

C30H30O2 — CID 145051598

IUPAC9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene
SMILESC=CO/C(C)=C/C=C(\C)C1(c2ccc(OC=C)cc2)C2=C(c3ccccc31)C(C)CC=C2
InChIInChI=1S/C30H30O2/c1-6-31-23(5)16-15-22(4)30(24-17-19-25(20-18-24)32-7-2)27-13-9-8-12-26(27)29-21(3)11-10-14-28(29)30/h6-10,12-21H,1-2,11H2,3-5H3/b22-15+,23-16+
InChIKeyPYIQJFDBBJKVGN-QAOSGDJLSA-N
MW422.57 g/mol
LogP7.87
Rot. Bonds7

About 9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene

9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene (PubChem CID 145051598) has the molecular formula C30H30O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene.

Molecular Properties

Compound Name9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene
PubChem CID145051598
Molecular FormulaC30H30O2
Molecular Weight422.57 g/mol
Exact Mass422.22
IUPAC Name9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene
SMILESC=CO/C(C)=C/C=C(\C)C1(c2ccc(OC=C)cc2)C2=C(c3ccccc31)C(C)CC=C2
InChIInChI=1S/C30H30O2/c1-6-31-23(5)16-15-22(4)30(24-17-19-25(20-18-24)32-7-2)27-13-9-8-12-26(27)29-21(3)11-10-14-28(29)30/h6-10,12-21H,1-2,11H2,3-5H3/b22-15+,23-16+
InChIKeyPYIQJFDBBJKVGN-QAOSGDJLSA-N
XLogP7.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
CID 142541086
4,9'-dimethylspiro[3,4-dihydrofluorene-9,10'-9H-anthracene]
CID 91333541
9-[2,3-dimethyl-4-(2-methylphenyl)phenyl]-4-methyl-9-(2-methylphenyl)-3,4-dihydrofluorene
CID 145007140
10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine
CID 123828238
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine
CID 138484674
8-(3,5-dichlorophenyl)-4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 156896781
1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene
CID 143659325
1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 142215714
4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
CID 144556721
1,9,9-trimethyl-1,2-dihydrofluorene
CID 142481302
1,4-bis(ethenoxy)benzene;ethane
CID 145326219
N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine
CID 131969708

Frequently Asked Questions

What is the IUPAC name of 9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene?
The IUPAC name of 9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene (CID 145051598) is 9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene.
What is the SMILES notation for 9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene?
The canonical SMILES for 9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene is C=CO/C(C)=C/C=C(\C)C1(c2ccc(OC=C)cc2)C2=C(c3ccccc31)C(C)CC=C2.
What is the InChIKey of 9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene?
The InChIKey is PYIQJFDBBJKVGN-QAOSGDJLSA-N. The full InChI is InChI=1S/C30H30O2/c1-6-31-23(5)16-15-22(4)30(24-17-19-25(20-18-24)32-7-2)27-13-9-8-12-26(27)29-21(3)11-10-14-28(29)30/h6-10,12-21H,1-2,11H2,3-5H3/b22-15+,23-16+.
What are the key properties of 9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene?
9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene has a molecular weight of 422.57 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene is sourced from PubChem (CID 145051598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).