3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene

C56H58 — CID 144979759

IUPAC3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene
SMILESC/C=C\C1=C(C)C(C)(C)c2cc(C)ccc21.C/C=C\C1=C(CC)c2ccccc2C12C1=CCCC=C1c1ccc(C)cc12.Cc1ccccc1-c1ccccc1
InChIInChI=1S/C27H26.C16H20.C13H12/c1-4-10-23-19(5-2)20-11-6-8-13-24(20)27(23)25-14-9-7-12-21(25)22-16-15-18(3)17-26(22)27;1-6-7-13-12(3)16(4,5)15-10-11(2)8-9-14(13)15;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h4,6,8,10-17H,5,7,9H2,1-3H3;6-10H,1-5H3;2-10H,1H3/b10-4-;7-6-;
InChIKeyPTEVQJBOXSRQMT-HKUFWXTISA-N
MW731.08 g/mol
LogP15.45
Rot. Bonds4

About 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene

3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene (PubChem CID 144979759) has the molecular formula C56H58 and a molecular weight of 731.08 g/mol. Its IUPAC name is 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene.

Molecular Properties

Compound Name3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene
PubChem CID144979759
Molecular FormulaC56H58
Molecular Weight731.08 g/mol
Exact Mass730.45
IUPAC Name3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene
SMILESC/C=C\C1=C(C)C(C)(C)c2cc(C)ccc21.C/C=C\C1=C(CC)c2ccccc2C12C1=CCCC=C1c1ccc(C)cc12.Cc1ccccc1-c1ccccc1
InChIInChI=1S/C27H26.C16H20.C13H12/c1-4-10-23-19(5-2)20-11-6-8-13-24(20)27(23)25-14-9-7-12-21(25)22-16-15-18(3)17-26(22)27;1-6-7-13-12(3)16(4,5)15-10-11(2)8-9-14(13)15;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h4,6,8,10-17H,5,7,9H2,1-3H3;6-10H,1-5H3;2-10H,1H3/b10-4-;7-6-;
InChIKeyPTEVQJBOXSRQMT-HKUFWXTISA-N
XLogP15.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.08
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene with MolForge

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Related Compounds

3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144821282
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 126542786
2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 144602980
2-methyl-9,9-diphenylfluorene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];2,9,9-trimethylfluorene
CID 158540560
2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine
CID 163887285
7,9,9-trimethyl-6-(2-methylphenyl)-2,3-dihydrofluorene
CID 145017109
benzene;S-[2-ethynyl-1,6-dimethyl-3-[(Z)-prop-1-enyl]inden-1-yl]thiohydroxylamine;1-methyl-2-(4-methylphenyl)benzene;2'-methyl-10-phenylspiro[acridine-9,9'-fluorene]
CID 145212885
N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 123741580
(2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]
CID 144569336
9,9-dimethyl-2,3-dihydrofluorene
CID 123727902
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500

Frequently Asked Questions

What is the IUPAC name of 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene?
The IUPAC name of 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene (CID 144979759) is 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene.
What is the SMILES notation for 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene?
The canonical SMILES for 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene is C/C=C\C1=C(C)C(C)(C)c2cc(C)ccc21.C/C=C\C1=C(CC)c2ccccc2C12C1=CCCC=C1c1ccc(C)cc12.Cc1ccccc1-c1ccccc1.
What is the InChIKey of 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene?
The InChIKey is PTEVQJBOXSRQMT-HKUFWXTISA-N. The full InChI is InChI=1S/C27H26.C16H20.C13H12/c1-4-10-23-19(5-2)20-11-6-8-13-24(20)27(23)25-14-9-7-12-21(25)22-16-15-18(3)17-26(22)27;1-6-7-13-12(3)16(4,5)15-10-11(2)8-9-14(13)15;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h4,6,8,10-17H,5,7,9H2,1-3H3;6-10H,1-5H3;2-10H,1H3/b10-4-;7-6-;.
What are the key properties of 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene?
3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene has a molecular weight of 731.08 g/mol, XLogP of 15.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene is sourced from PubChem (CID 144979759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).