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

C37H31N — CID 139506414

IUPAC17,17,21,24,24-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
SMILESCN1c2cc3c(cc2-c2ccccc2-c2ccc4c(c21)C(C)(C)c1ccccc1-4)-c1ccccc1C3(C)C
InChIInChI=1S/C37H31N/c1-36(2)30-16-10-9-15-25(30)28-20-29-23-13-7-6-12-22(23)27-19-18-26-24-14-8-11-17-31(24)37(3,4)34(26)35(27)38(5)33(29)21-32(28)36/h6-21H,1-5H3
InChIKeyATNUDDQREWUTAK-UHFFFAOYSA-N
MW489.66 g/mol
LogP9.71
Rot. Bonds

About 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

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 (PubChem CID 139506414) has the molecular formula C37H31N and a molecular weight of 489.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17,17,21,24,24-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
PubChem CID139506414
Molecular FormulaC37H31N
Molecular Weight489.66 g/mol
Exact Mass489.25
IUPAC Name17,17,21,24,24-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
SMILESCN1c2cc3c(cc2-c2ccccc2-c2ccc4c(c21)C(C)(C)c1ccccc1-4)-c1ccccc1C3(C)C
InChIInChI=1S/C37H31N/c1-36(2)30-16-10-9-15-25(30)28-20-29-23-13-7-6-12-22(23)27-19-18-26-24-14-8-11-17-31(24)37(3,4)34(26)35(27)38(5)33(29)21-32(28)36/h6-21H,1-5H3
InChIKeyATNUDDQREWUTAK-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 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 with MolForge

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Related Compounds

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
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
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
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
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
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
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
10,10,14,14-tetramethyl-21-[5-(10,10,14,14-tetramethyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-yl)naphthalen-1-yl]-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459631
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
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;5,12,12,13,13-pentamethylnaphtho[2,3-b][1]benzazepine;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine
CID 160839106
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
9,9,10-trimethylacridine
CID 610451

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1c2cc3c(cc2-c2ccccc2-c2ccc4c(c21)C(C)(C)c1ccccc1-4)-c1ccccc1C3(C)C.
What is the InChIKey of 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?
The InChIKey is ATNUDDQREWUTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N/c1-36(2)30-16-10-9-15-25(30)28-20-29-23-13-7-6-12-22(23)27-19-18-26-24-14-8-11-17-31(24)37(3,4)34(26)35(27)38(5)33(29)21-32(28)36/h6-21H,1-5H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 139506414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).