decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione

C129H90O6 — CID 158617120

IUPACdecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)c(=O)c3c4c4c(=O)c5cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccccc8)ccc6-7)ccc5c4c4c(=O)c5cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccccc8)ccc6-7)ccc5c34)cc21.O=c1c2cc3c(cc2c2c1c1c4cc5c(cc4c(=O)c1c1c4cc6c(cc4c(=O)c21)CCCC6)CCCC5)CCCC3
InChIInChI=1S/C90H60O3.C39H30O3/c1-88(2)73-43-55(49-16-10-7-11-17-49)22-31-61(73)64-34-25-58(46-76(64)88)52-28-37-67-70(40-52)85(91)82-79(67)83-81(69-39-30-54(42-72(69)86(83)92)60-27-36-66-63-33-24-57(51-20-14-9-15-21-51)45-75(63)90(5,6)78(66)48-60)84-80(82)68-38-29-53(41-71(68)87(84)93)59-26-35-65-62-32-23-56(50-18-12-8-13-19-50)44-74(62)89(3,4)77(65)47-59;40-37-28-16-22-10-4-1-7-19(22)13-25(28)31-34(37)32-27-15-21-9-3-6-12-24(21)18-30(27)39(42)36(32)33-26-14-20-8-2-5-11-23(20)17-29(26)38(41)35(31)33/h7-48H,1-6H3;13-18H,1-12H2
InChIKeyHXNJPNLLOGOCME-UHFFFAOYSA-N
MW1736.13 g/mol
LogP29.56
Rot. Bonds6

About decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione

decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione (PubChem CID 158617120) has the molecular formula C129H90O6 and a molecular weight of 1736.13 g/mol. Its IUPAC name is decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione.

Molecular Properties

Compound Namedecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione
PubChem CID158617120
Molecular FormulaC129H90O6
Molecular Weight1736.13 g/mol
Exact Mass1734.67
IUPAC Namedecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)c(=O)c3c4c4c(=O)c5cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccccc8)ccc6-7)ccc5c4c4c(=O)c5cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccccc8)ccc6-7)ccc5c34)cc21.O=c1c2cc3c(cc2c2c1c1c4cc5c(cc4c(=O)c1c1c4cc6c(cc4c(=O)c21)CCCC6)CCCC5)CCCC3
InChIInChI=1S/C90H60O3.C39H30O3/c1-88(2)73-43-55(49-16-10-7-11-17-49)22-31-61(73)64-34-25-58(46-76(64)88)52-28-37-67-70(40-52)85(91)82-79(67)83-81(69-39-30-54(42-72(69)86(83)92)60-27-36-66-63-33-24-57(51-20-14-9-15-21-51)45-75(63)90(5,6)78(66)48-60)84-80(82)68-38-29-53(41-71(68)87(84)93)59-26-35-65-62-32-23-56(50-18-12-8-13-19-50)44-74(62)89(3,4)77(65)47-59;40-37-28-16-22-10-4-1-7-19(22)13-25(28)31-34(37)32-27-15-21-9-3-6-12-24(21)18-30(27)39(42)36(32)33-26-14-20-8-2-5-11-23(20)17-29(26)38(41)35(31)33/h7-48H,1-6H3;13-18H,1-12H2
InChIKeyHXNJPNLLOGOCME-UHFFFAOYSA-N
XLogP29.56
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001736.13
LogP ≤ 529.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione with MolForge

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Related Compounds

9,9-dimethyl-2,7-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217252
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
CID 156656915
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
CID 58569367
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858

Frequently Asked Questions

What is the IUPAC name of decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione?
The IUPAC name of decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione (CID 158617120) is decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione.
What is the SMILES notation for decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione?
The canonical SMILES for decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)c(=O)c3c4c4c(=O)c5cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccccc8)ccc6-7)ccc5c4c4c(=O)c5cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccccc8)ccc6-7)ccc5c34)cc21.O=c1c2cc3c(cc2c2c1c1c4cc5c(cc4c(=O)c1c1c4cc6c(cc4c(=O)c21)CCCC6)CCCC5)CCCC3.
What is the InChIKey of decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione?
The InChIKey is HXNJPNLLOGOCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60O3.C39H30O3/c1-88(2)73-43-55(49-16-10-7-11-17-49)22-31-61(73)64-34-25-58(46-76(64)88)52-28-37-67-70(40-52)85(91)82-79(67)83-81(69-39-30-54(42-72(69)86(83)92)60-27-36-66-63-33-24-57(51-20-14-9-15-21-51)45-75(63)90(5,6)78(66)48-60)84-80(82)68-38-29-53(41-71(68)87(84)93)59-26-35-65-62-32-23-56(50-18-12-8-13-19-50)44-74(62)89(3,4)77(65)47-59;40-37-28-16-22-10-4-1-7-19(22)13-25(28)31-34(37)32-27-15-21-9-3-6-12-24(21)18-30(27)39(42)36(32)33-26-14-20-8-2-5-11-23(20)17-29(26)38(41)35(31)33/h7-48H,1-6H3;13-18H,1-12H2.
What are the key properties of decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione?
decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione has a molecular weight of 1736.13 g/mol, XLogP of 29.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for decacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(28),2(14),3(12),4,10,15(27),16(25),17,23,29(38),30,36-dodecaene-13,26,39-trione;6,15,24-tris(9,9-dimethyl-7-phenylfluoren-2-yl)heptacyclo[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(26),22,24-dodecaene-9,18,27-trione is sourced from PubChem (CID 158617120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).