3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene

C62H68O — CID 144612942

IUPAC3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene
SMILESC/C=C\c1c(C)oc(C)c1/C(C)=C\CC.C=Cc1c(-c2ccccc2)cc2c(c1C=C)-c1ccc(C)cc1C2(c1ccccc1)c1ccccc1.CC.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C36H28.C14H20O.C10H14.C2H6/c1-4-29-30(5-2)35-31-22-21-25(3)23-33(31)36(27-17-11-7-12-18-27,28-19-13-8-14-20-28)34(35)24-32(29)26-15-9-6-10-16-26;1-6-8-10(3)14-12(5)15-11(4)13(14)9-7-2;1-8(2)10-6-4-9(3)5-7-10;1-2/h4-24H,1-2H2,3H3;7-9H,6H2,1-5H3;4-8H,1-3H3;1-2H3/b;9-7-,10-8-;;
InChIKeyIFYOLJXEXJIYAU-ADXPZUFYSA-N
MW829.22 g/mol
LogP18.20
Rot. Bonds9

About 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene

3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene (PubChem CID 144612942) has the molecular formula C62H68O and a molecular weight of 829.22 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene
PubChem CID144612942
Molecular FormulaC62H68O
Molecular Weight829.22 g/mol
Exact Mass828.53
IUPAC Name3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene
SMILESC/C=C\c1c(C)oc(C)c1/C(C)=C\CC.C=Cc1c(-c2ccccc2)cc2c(c1C=C)-c1ccc(C)cc1C2(c1ccccc1)c1ccccc1.CC.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C36H28.C14H20O.C10H14.C2H6/c1-4-29-30(5-2)35-31-22-21-25(3)23-33(31)36(27-17-11-7-12-18-27,28-19-13-8-14-20-28)34(35)24-32(29)26-15-9-6-10-16-26;1-6-8-10(3)14-12(5)15-11(4)13(14)9-7-2;1-8(2)10-6-4-9(3)5-7-10;1-2/h4-24H,1-2H2,3H3;7-9H,6H2,1-5H3;4-8H,1-3H3;1-2H3/b;9-7-,10-8-;;
InChIKeyIFYOLJXEXJIYAU-ADXPZUFYSA-N
XLogP18.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.22
LogP ≤ 518.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene with MolForge

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Related Compounds

3,4-bis(ethenyl)-2,7,9,9-tetramethylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-2-[(Z)-3-methylpent-2-en-2-yl]benzene;toluene
CID 144613065
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran;9-methyl-N-(4-methylphenyl)-N-naphthalen-1-yl-7,7-diphenylbenzo[c]fluoren-5-amine;toluene
CID 144614123
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
(E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile
CID 144924857
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine
CID 177067098
butan-2-ylbenzene;1-[(1E,3E)-3-(4-butan-2-ylphenyl)-6-methylhepta-1,3,5-trienyl]-2-methylnaphthalene;2-methyl-9,9-diphenylfluorene;toluene
CID 144661308
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine
CID 144614792
1-bromo-4-methyl-2-phenylbenzene;but-3-en-2-one;cumene
CID 177034851
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
3,4-bis(ethenyl)-2,7-dimethyl-9,9-diphenylfluorene;ethane;(3Z)-3-ethylhexa-1,3,5-triene;1-ethyl-4-methylbenzene;1-methyl-3,4-dihydrodibenzothiophene;toluene
CID 144614514

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene (CID 144612942) is 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene is C/C=C\c1c(C)oc(C)c1/C(C)=C\CC.C=Cc1c(-c2ccccc2)cc2c(c1C=C)-c1ccc(C)cc1C2(c1ccccc1)c1ccccc1.CC.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene?
The InChIKey is IFYOLJXEXJIYAU-ADXPZUFYSA-N. The full InChI is InChI=1S/C36H28.C14H20O.C10H14.C2H6/c1-4-29-30(5-2)35-31-22-21-25(3)23-33(31)36(27-17-11-7-12-18-27,28-19-13-8-14-20-28)34(35)24-32(29)26-15-9-6-10-16-26;1-6-8-10(3)14-12(5)15-11(4)13(14)9-7-2;1-8(2)10-6-4-9(3)5-7-10;1-2/h4-24H,1-2H2,3H3;7-9H,6H2,1-5H3;4-8H,1-3H3;1-2H3/b;9-7-,10-8-;;.
What are the key properties of 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene?
3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene has a molecular weight of 829.22 g/mol, XLogP of 18.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 144612942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).