10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene

C23H20N3+ — CID 158918560

IUPAC10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene
SMILESCC1n2c(nc3cc4c(cc32)C(C)(C)c2ccccc2-4)-c2cccc[n+]21
InChIInChI=1S/C23H20N3/c1-14-25-11-7-6-10-20(25)22-24-19-12-16-15-8-4-5-9-17(15)23(2,3)18(16)13-21(19)26(14)22/h4-14H,1-3H3/q+1
InChIKeyDLHQFDDGYWTGQS-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.68
Rot. Bonds

About 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene

10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene (PubChem CID 158918560) has the molecular formula C23H20N3+ and a molecular weight of 338.43 g/mol. Its IUPAC name is 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene.

Molecular Properties

Compound Name10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene
PubChem CID158918560
Molecular FormulaC23H20N3+
Molecular Weight338.43 g/mol
Exact Mass338.17
IUPAC Name10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene
SMILESCC1n2c(nc3cc4c(cc32)C(C)(C)c2ccccc2-4)-c2cccc[n+]21
InChIInChI=1S/C23H20N3/c1-14-25-11-7-6-10-20(25)22-24-19-12-16-15-8-4-5-9-17(15)23(2,3)18(16)13-21(19)26(14)22/h4-14H,1-3H3/q+1
InChIKeyDLHQFDDGYWTGQS-UHFFFAOYSA-N
XLogP4.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene with MolForge

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Related Compounds

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CID 160735847
3,25,25-trimethyl-2,15-diaza-4-azoniaheptacyclo[14.11.0.02,14.04,13.05,10.018,26.019,24]heptacosa-1(16),4(13),5,7,9,11,14,17,19,21,23,26-dodecaene
CID 158470098
1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
2-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-1-phenylbenzimidazole
CID 58411752
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one
CID 156870680
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole
CID 143828980
2-[4-[10,10-dimethyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411901
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-1-(9-phenylcarbazol-3-yl)indeno[1,2-f]benzimidazol-9-one
CID 118531848
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)naphtho[2,3-f][1,3]benzoxazole-5,10-dione
CID 90201703

Frequently Asked Questions

What is the IUPAC name of 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene?
The IUPAC name of 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene (CID 158918560) is 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene.
What is the SMILES notation for 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene?
The canonical SMILES for 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene is CC1n2c(nc3cc4c(cc32)C(C)(C)c2ccccc2-4)-c2cccc[n+]21.
What is the InChIKey of 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene?
The InChIKey is DLHQFDDGYWTGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N3/c1-14-25-11-7-6-10-20(25)22-24-19-12-16-15-8-4-5-9-17(15)23(2,3)18(16)13-21(19)26(14)22/h4-14H,1-3H3/q+1.
What are the key properties of 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene?
10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene has a molecular weight of 338.43 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,15-trimethyl-14,23-diaza-16-azoniahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20,22-decaene is sourced from PubChem (CID 158918560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).