27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene

C65H53N — CID 154973447

IUPAC27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)C13c4cc(ccc4-2)C(C)(C)c2cccc(-c4ccccc4)c2N(c2ccc4c(c2)C(C)(C)c2ccccc2-4)c2ccc(c1c2)-c1c(-c2ccccc2)cccc13
InChIInChI=1S/C65H53N/c1-62(2,3)42-28-32-50-51-33-29-43-37-58(51)65(57(50)36-42)54-26-16-23-46(40-18-10-8-11-19-40)60(54)52-35-31-45(39-59(52)65)66(44-30-34-49-48-22-14-15-25-53(48)64(6,7)56(49)38-44)61-47(41-20-12-9-13-21-41)24-17-27-55(61)63(43,4)5/h8-39H,1-7H3
InChIKeyLEECGGVVCWTHMA-UHFFFAOYSA-N
MW848.15 g/mol
LogP17.08
Rot. Bonds3

About 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene

27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene (PubChem CID 154973447) has the molecular formula C65H53N and a molecular weight of 848.15 g/mol. Its IUPAC name is 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene.

Molecular Properties

Compound Name27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene
PubChem CID154973447
Molecular FormulaC65H53N
Molecular Weight848.15 g/mol
Exact Mass847.42
IUPAC Name27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)C13c4cc(ccc4-2)C(C)(C)c2cccc(-c4ccccc4)c2N(c2ccc4c(c2)C(C)(C)c2ccccc2-4)c2ccc(c1c2)-c1c(-c2ccccc2)cccc13
InChIInChI=1S/C65H53N/c1-62(2,3)42-28-32-50-51-33-29-43-37-58(51)65(57(50)36-42)54-26-16-23-46(40-18-10-8-11-19-40)60(54)52-35-31-45(39-59(52)65)66(44-30-34-49-48-22-14-15-25-53(48)64(6,7)56(49)38-44)61-47(41-20-12-9-13-21-41)24-17-27-55(61)63(43,4)5/h8-39H,1-7H3
InChIKeyLEECGGVVCWTHMA-UHFFFAOYSA-N
XLogP17.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.15
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene with MolForge

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Related Compounds

32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene
CID 171799059
9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
CID 155153830
7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene
CID 139541049
7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18(23),19,21-dodecaene
CID 139540896
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
5-(4-tert-butylphenyl)-10-(9,9-dimethylfluoren-2-yl)phenazine
CID 168782836
2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170141214
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 154588638
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
CID 164755528
N-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline
CID 176836108

Frequently Asked Questions

What is the IUPAC name of 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene?
The IUPAC name of 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene (CID 154973447) is 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene.
What is the SMILES notation for 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene?
The canonical SMILES for 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene is CC(C)(C)c1ccc2c(c1)C13c4cc(ccc4-2)C(C)(C)c2cccc(-c4ccccc4)c2N(c2ccc4c(c2)C(C)(C)c2ccccc2-4)c2ccc(c1c2)-c1c(-c2ccccc2)cccc13.
What is the InChIKey of 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene?
The InChIKey is LEECGGVVCWTHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N/c1-62(2,3)42-28-32-50-51-33-29-43-37-58(51)65(57(50)36-42)54-26-16-23-46(40-18-10-8-11-19-40)60(54)52-35-31-45(39-59(52)65)66(44-30-34-49-48-22-14-15-25-53(48)64(6,7)56(49)38-44)61-47(41-20-12-9-13-21-41)24-17-27-55(61)63(43,4)5/h8-39H,1-7H3.
What are the key properties of 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene?
27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene has a molecular weight of 848.15 g/mol, XLogP of 17.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 27-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-19,19-dimethyl-6,14-diphenyl-12-azaoctacyclo[18.9.2.28,11.01,9.02,7.013,18.023,30.024,29]tritriaconta-2,4,6,8,10,13,15,17,20(31),21,23(30),24(29),25,27,32-pentadecaene is sourced from PubChem (CID 154973447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).