7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene

C24H19N3 — CID 50916395

IUPAC7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene
SMILESCc1ccc2c(c1)C(C)(C)c1cn3c4ccccc4c4ccnc(c1=N2)c43
InChIInChI=1S/C24H19N3/c1-14-8-9-19-17(12-14)24(2,3)18-13-27-20-7-5-4-6-15(20)16-10-11-25-22(23(16)27)21(18)26-19/h4-13H,1-3H3
InChIKeyKKGTVHABYMNCFU-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.26
Rot. Bonds

About 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene

7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene (PubChem CID 50916395) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene.

Molecular Properties

Compound Name7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene
PubChem CID50916395
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene
SMILESCc1ccc2c(c1)C(C)(C)c1cn3c4ccccc4c4ccnc(c1=N2)c43
InChIInChI=1S/C24H19N3/c1-14-8-9-19-17(12-14)24(2,3)18-13-27-20-7-5-4-6-15(20)16-10-11-25-22(23(16)27)21(18)26-19/h4-13H,1-3H3
InChIKeyKKGTVHABYMNCFU-UHFFFAOYSA-N
XLogP5.26
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene with MolForge

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Related Compounds

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5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140943861
5,13,13-trimethyl-1,17-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 144808835
1,7,9-trimethylpyrido[3,4-b]indole
CID 163765434
3-methyl-9-oxidocarbazole
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9,11,11-trimethyl-5-phenylindeno[1,2-b]carbazole
CID 71250183
2,7,9,9-tetramethyl-10-(9-methylcarbazol-3-yl)acridine
CID 158231626
16-methylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 135245562
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
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2,2,5,9,9,16,16-heptamethyltetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
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Frequently Asked Questions

What is the IUPAC name of 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene?
The IUPAC name of 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene (CID 50916395) is 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene.
What is the SMILES notation for 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene?
The canonical SMILES for 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene is Cc1ccc2c(c1)C(C)(C)c1cn3c4ccccc4c4ccnc(c1=N2)c43.
What is the InChIKey of 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene?
The InChIKey is KKGTVHABYMNCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-14-8-9-19-17(12-14)24(2,3)18-13-27-20-7-5-4-6-15(20)16-10-11-25-22(23(16)27)21(18)26-19/h4-13H,1-3H3.
What are the key properties of 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene?
7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene has a molecular weight of 349.44 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene is sourced from PubChem (CID 50916395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).