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

C28H31N — CID 58184992

IUPAC10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene
SMILESCN1c2ccccc2C(C)(C)C(C)(C)c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C28H31N/c1-26(2)20-13-9-8-12-18(20)19-16-25-23(17-22(19)26)28(5,6)27(3,4)21-14-10-11-15-24(21)29(25)7/h8-17H,1-7H3
InChIKeyBVECHVFEDOWWCA-UHFFFAOYSA-N
MW381.56 g/mol
LogP7.33
Rot. Bonds

About 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

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 (PubChem CID 58184992) has the molecular formula C28H31N and a molecular weight of 381.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene
PubChem CID58184992
Molecular FormulaC28H31N
Molecular Weight381.56 g/mol
Exact Mass381.25
IUPAC Name10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene
SMILESCN1c2ccccc2C(C)(C)C(C)(C)c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C28H31N/c1-26(2)20-13-9-8-12-18(20)19-16-25-23(17-22(19)26)28(5,6)27(3,4)21-14-10-11-15-24(21)29(25)7/h8-17H,1-7H3
InChIKeyBVECHVFEDOWWCA-UHFFFAOYSA-N
XLogP7.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-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
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
21-(4,6-diphenyl-1,3,5-triazin-2-yl)-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-nonaene
CID 67472159
10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146580531
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
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CID 142283327
3-fluoro-9,9-dimethylfluorene
CID 130217991

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1c2ccccc2C(C)(C)C(C)(C)c2cc3c(cc21)-c1ccccc1C3(C)C.
What is the InChIKey of 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?
The InChIKey is BVECHVFEDOWWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N/c1-26(2)20-13-9-8-12-18(20)19-16-25-23(17-22(19)26)28(5,6)27(3,4)21-14-10-11-15-24(21)29(25)7/h8-17H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 381.56 g/mol, XLogP of 7.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58184992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).