17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene

C60H40N2O2 — CID 163417489

IUPAC17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4cc5c(cc4c4ccc6oc7ccccc7c6c43)c3ccc4oc6ccccc6c4c3n5-c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C60H40N2O2/c1-59(2)45-17-9-5-13-35(45)41-29-33(21-25-47(41)59)61-49-32-50-44(31-43(49)37-23-27-53-55(57(37)61)39-15-7-11-19-51(39)63-53)38-24-28-54-56(40-16-8-12-20-52(40)64-54)58(38)62(50)34-22-26-48-42(30-34)36-14-6-10-18-46(36)60(48,3)4/h5-32H,1-4H3
InChIKeyAFRJQOMSFPDVEH-UHFFFAOYSA-N
MW820.99 g/mol
LogP16.29
Rot. Bonds2

About 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene

17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene (PubChem CID 163417489) has the molecular formula C60H40N2O2 and a molecular weight of 820.99 g/mol. Its IUPAC name is 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene.

Molecular Properties

Compound Name17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
PubChem CID163417489
Molecular FormulaC60H40N2O2
Molecular Weight820.99 g/mol
Exact Mass820.31
IUPAC Name17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4cc5c(cc4c4ccc6oc7ccccc7c6c43)c3ccc4oc6ccccc6c4c3n5-c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C60H40N2O2/c1-59(2)45-17-9-5-13-35(45)41-29-33(21-25-47(41)59)61-49-32-50-44(31-43(49)37-23-27-53-55(57(37)61)39-15-7-11-19-51(39)63-53)38-24-28-54-56(40-16-8-12-20-52(40)64-54)58(38)62(50)34-22-26-48-42(30-34)36-14-6-10-18-46(36)60(48,3)4/h5-32H,1-4H3
InChIKeyAFRJQOMSFPDVEH-UHFFFAOYSA-N
XLogP16.29
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.99
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-3-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118502798
15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18,20,22,26-dodecaene
CID 142415987
12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 122595550
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159143248
11-(9,9-diphenylfluoren-2-yl)-15-phenyl-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-11-[4-(9-phenylfluoren-9-yl)phenyl]-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 160861313
12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenylsilane;(3-carbazol-9-ylphenyl)-diphenyl-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane
CID 163452118
17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
CID 163583098
9-dibenzofuran-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzofuran-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzofuran-2-yl-7,7-dimethylindeno[2,1-b]carbazole;5-dibenzofuran-2-yl-12,12-dimethylindeno[1,2-c]carbazole
CID 159024447
11-(9,9-dimethylfluoren-3-yl)isochromeno[3,4-a]carbazol-13-one
CID 118248343
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-15-phenyl-N-(4-phenylphenyl)-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18(23),19,21,26-dodecaen-21-amine
CID 163659315

Frequently Asked Questions

What is the IUPAC name of 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene?
The IUPAC name of 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene (CID 163417489) is 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene.
What is the SMILES notation for 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene?
The canonical SMILES for 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene is CC1(C)c2ccccc2-c2cc(-n3c4cc5c(cc4c4ccc6oc7ccccc7c6c43)c3ccc4oc6ccccc6c4c3n5-c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21.
What is the InChIKey of 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene?
The InChIKey is AFRJQOMSFPDVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O2/c1-59(2)45-17-9-5-13-35(45)41-29-33(21-25-47(41)59)61-49-32-50-44(31-43(49)37-23-27-53-55(57(37)61)39-15-7-11-19-51(39)63-53)38-24-28-54-56(40-16-8-12-20-52(40)64-54)58(38)62(50)34-22-26-48-42(30-34)36-14-6-10-18-46(36)60(48,3)4/h5-32H,1-4H3.
What are the key properties of 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene?
17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene has a molecular weight of 820.99 g/mol, XLogP of 16.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene is sourced from PubChem (CID 163417489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).