6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene

C90H90 — CID 102150204

IUPAC6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3c-4c4c(c5c3-c3ccc(-c6ccc7c(c6)C(CC)(CC)c6ccccc6-7)cc3C5(CC)CC)C(CC)(CC)c3cc(-c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C90H90/c1-13-85(14-2)70-34-28-25-31-61(70)64-43-37-55(49-73(64)85)58-40-46-67-76(52-58)88(19-7,20-8)82-79(67)80-68-47-41-59(56-38-44-65-62-32-26-29-35-71(62)86(15-3,16-4)74(65)50-56)53-77(68)89(21-9,22-10)83(80)84-81(82)69-48-42-60(54-78(69)90(84,23-11)24-12)57-39-45-66-63-33-27-30-36-72(63)87(17-5,18-6)75(66)51-57/h25-54H,13-24H2,1-12H3
InChIKeyYEHXLIJJVPRVLL-UHFFFAOYSA-N
MW1171.71 g/mol
LogP25.21
Rot. Bonds15

About 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene

6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene (PubChem CID 102150204) has the molecular formula C90H90 and a molecular weight of 1171.71 g/mol. Its IUPAC name is 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene.

Molecular Properties

Compound Name6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
PubChem CID102150204
Molecular FormulaC90H90
Molecular Weight1171.71 g/mol
Exact Mass1170.70
IUPAC Name6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3c-4c4c(c5c3-c3ccc(-c6ccc7c(c6)C(CC)(CC)c6ccccc6-7)cc3C5(CC)CC)C(CC)(CC)c3cc(-c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C90H90/c1-13-85(14-2)70-34-28-25-31-61(70)64-43-37-55(49-73(64)85)58-40-46-67-76(52-58)88(19-7,20-8)82-79(67)80-68-47-41-59(56-38-44-65-62-32-26-29-35-71(62)86(15-3,16-4)74(65)50-56)53-77(68)89(21-9,22-10)83(80)84-81(82)69-48-42-60(54-78(69)90(84,23-11)24-12)57-39-45-66-63-33-27-30-36-72(63)87(17-5,18-6)75(66)51-57/h25-54H,13-24H2,1-12H3
InChIKeyYEHXLIJJVPRVLL-UHFFFAOYSA-N
XLogP25.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.71
LogP ≤ 525.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene with MolForge

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Related Compounds

2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
CID 163799471
2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
CID 59782418
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene
CID 58880878
9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene
CID 20821974
9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene
CID 20822214
9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine
CID 102292425
2-(9,9-diethylfluoren-2-yl)-4,6-diphenylpyridine
CID 102582737
9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene
CID 20822293
CID 173482166
CID 173482166

Frequently Asked Questions

What is the IUPAC name of 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene?
The IUPAC name of 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene (CID 102150204) is 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene.
What is the SMILES notation for 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene?
The canonical SMILES for 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene is CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3c-4c4c(c5c3-c3ccc(-c6ccc7c(c6)C(CC)(CC)c6ccccc6-7)cc3C5(CC)CC)C(CC)(CC)c3cc(-c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene?
The InChIKey is YEHXLIJJVPRVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H90/c1-13-85(14-2)70-34-28-25-31-61(70)64-43-37-55(49-73(64)85)58-40-46-67-76(52-58)88(19-7,20-8)82-79(67)80-68-47-41-59(56-38-44-65-62-32-26-29-35-71(62)86(15-3,16-4)74(65)50-56)53-77(68)89(21-9,22-10)83(80)84-81(82)69-48-42-60(54-78(69)90(84,23-11)24-12)57-39-45-66-63-33-27-30-36-72(63)87(17-5,18-6)75(66)51-57/h25-54H,13-24H2,1-12H3.
What are the key properties of 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene?
6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene has a molecular weight of 1171.71 g/mol, XLogP of 25.21, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene is sourced from PubChem (CID 102150204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).