14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene

C66H50O2 — CID 134557106

IUPAC14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c(c5c3oc3ccccc35)-c3cc5c(cc3C4(C)C)-c3c(cc(-c4ccc6c(c4)-c4ccccc4C6(C)C)c4oc6ccccc6c34)C5(C)C)ccc21
InChIInChI=1S/C66H50O2/c1-63(2)47-21-13-9-17-37(47)43-29-35(25-27-49(43)63)41-31-53-57(59-39-19-11-15-23-55(39)67-61(41)59)45-33-52-46(34-51(45)65(53,5)6)58-54(66(52,7)8)32-42(62-60(58)40-20-12-16-24-56(40)68-62)36-26-28-50-44(30-36)38-18-10-14-22-48(38)64(50,3)4/h9-34H,1-8H3
InChIKeyVLJNIDZWYHQWAV-UHFFFAOYSA-N
MW875.12 g/mol
LogP18.04
Rot. Bonds2

About 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene

14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene (PubChem CID 134557106) has the molecular formula C66H50O2 and a molecular weight of 875.12 g/mol. Its IUPAC name is 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene.

Molecular Properties

Compound Name14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
PubChem CID134557106
Molecular FormulaC66H50O2
Molecular Weight875.12 g/mol
Exact Mass874.38
IUPAC Name14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c(c5c3oc3ccccc35)-c3cc5c(cc3C4(C)C)-c3c(cc(-c4ccc6c(c4)-c4ccccc4C6(C)C)c4oc6ccccc6c34)C5(C)C)ccc21
InChIInChI=1S/C66H50O2/c1-63(2)47-21-13-9-17-37(47)43-29-35(25-27-49(43)63)41-31-53-57(59-39-19-11-15-23-55(39)67-61(41)59)45-33-52-46(34-51(45)65(53,5)6)58-54(66(52,7)8)32-42(62-60(58)40-20-12-16-24-56(40)68-62)36-26-28-50-44(30-36)38-18-10-14-22-48(38)64(50,3)4/h9-34H,1-8H3
InChIKeyVLJNIDZWYHQWAV-UHFFFAOYSA-N
XLogP18.04
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.12
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene with MolForge

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Related Compounds

12,22-bis(9,9-dimethylfluoren-3-yl)-15,15-dimethyl-10,19-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene
CID 146228025
3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene
CID 134557023
12-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl]-15,15,25,25-tetramethyl-N-(2-phenylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 155088747
17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
CID 134557093
12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
CID 146228023
11-(9,9-dimethylfluoren-2-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130213739
N-(11-dibenzofuran-3-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-15,15,25,25-tetramethyl-N-(2-phenylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 146436608
N-[11-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-18,18,21,21-tetramethyl-N-(4-methylphenyl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 146432592
N-[14,14-dimethyl-11-(3-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-18,18,21,21-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164801209
N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-phenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 163893972
17,17,34,34-tetramethyl-14,31-di(phenanthren-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
CID 134556891
CID 146436698
CID 146436698

Frequently Asked Questions

What is the IUPAC name of 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?
The IUPAC name of 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene (CID 134557106) is 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene.
What is the SMILES notation for 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?
The canonical SMILES for 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene is CC1(C)c2ccccc2-c2cc(-c3cc4c(c5c3oc3ccccc35)-c3cc5c(cc3C4(C)C)-c3c(cc(-c4ccc6c(c4)-c4ccccc4C6(C)C)c4oc6ccccc6c34)C5(C)C)ccc21.
What is the InChIKey of 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?
The InChIKey is VLJNIDZWYHQWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50O2/c1-63(2)47-21-13-9-17-37(47)43-29-35(25-27-49(43)63)41-31-53-57(59-39-19-11-15-23-55(39)67-61(41)59)45-33-52-46(34-51(45)65(53,5)6)58-54(66(52,7)8)32-42(62-60(58)40-20-12-16-24-56(40)68-62)36-26-28-50-44(30-36)38-18-10-14-22-48(38)64(50,3)4/h9-34H,1-8H3.
What are the key properties of 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?
14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene has a molecular weight of 875.12 g/mol, XLogP of 18.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene is sourced from PubChem (CID 134557106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).