16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene

C37H31N — CID 139506238

IUPAC16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene
SMILESCN1c2cc3c(cc2-c2ccccc2-c2c1ccc1c2-c2ccccc2C1(C)C)-c1ccccc1C3(C)C
InChIInChI=1S/C37H31N/c1-36(2)29-17-11-9-15-25(29)34-30(36)18-19-32-35(34)24-14-7-6-12-22(24)27-20-26-23-13-8-10-16-28(23)37(3,4)31(26)21-33(27)38(32)5/h6-21H,1-5H3
InChIKeyFILAVCRFSPXPDS-UHFFFAOYSA-N
MW489.66 g/mol
LogP9.71
Rot. Bonds

About 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene

16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene (PubChem CID 139506238) has the molecular formula C37H31N and a molecular weight of 489.66 g/mol. Its IUPAC name is 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene.

Molecular Properties

Compound Name16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene
PubChem CID139506238
Molecular FormulaC37H31N
Molecular Weight489.66 g/mol
Exact Mass489.25
IUPAC Name16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene
SMILESCN1c2cc3c(cc2-c2ccccc2-c2c1ccc1c2-c2ccccc2C1(C)C)-c1ccccc1C3(C)C
InChIInChI=1S/C37H31N/c1-36(2)29-17-11-9-15-25(29)34-30(36)18-19-32-35(34)24-14-7-6-12-22(24)27-20-26-23-13-8-10-16-28(23)37(3,4)31(26)21-33(27)38(32)5/h6-21H,1-5H3
InChIKeyFILAVCRFSPXPDS-UHFFFAOYSA-N
XLogP9.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene with MolForge

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Related Compounds

17,17,21,24,24-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.010,18.011,16.023,31.025,30]tritriaconta-1(22),2,4,6,8,10(18),11,13,15,19,23(31),25,27,29,32-pentadecaene
CID 139506414
10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene
CID 58184992
2,2,12,12,20,20-hexamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 129305162
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
2,3-dimethoxy-9,9-dimethylfluorene
CID 134997139
(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole
CID 59747528
ethane;3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;15,22,22,23,23-pentamethyl-15-azapentacyclo[12.9.0.02,7.08,13.016,21]tricosa-1(14),2,4,6,8,10,12,16,18,20-decaene
CID 162177310
9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140710622
3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine
CID 159681117
9,9,10-trimethylacridine
CID 610451
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
3-fluoro-9,9-dimethylfluorene
CID 130217991

Frequently Asked Questions

What is the IUPAC name of 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene?
The IUPAC name of 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene (CID 139506238) is 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene.
What is the SMILES notation for 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene?
The canonical SMILES for 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene is CN1c2cc3c(cc2-c2ccccc2-c2c1ccc1c2-c2ccccc2C1(C)C)-c1ccccc1C3(C)C.
What is the InChIKey of 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene?
The InChIKey is FILAVCRFSPXPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N/c1-36(2)29-17-11-9-15-25(29)34-30(36)18-19-32-35(34)24-14-7-6-12-22(24)27-20-26-23-13-8-10-16-28(23)37(3,4)31(26)21-33(27)38(32)5/h6-21H,1-5H3.
What are the key properties of 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene?
16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene has a molecular weight of 489.66 g/mol, XLogP of 9.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene is sourced from PubChem (CID 139506238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).