6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene

C22H18N4 — CID 170518923

IUPAC6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene
SMILESC1=CC2=C(NC1)C1=C(C=CCN1)C1N=c3cc4ccccc4cc3=NC21
InChIInChI=1S/C22H18N4/c1-2-6-14-12-18-17(11-13(14)5-1)25-21-15-7-3-9-23-19(15)20-16(22(21)26-18)8-4-10-24-20/h1-8,11-12,21-24H,9-10H2
InChIKeyUTXQKWABHBQSNQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.67
Rot. Bonds

About 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene

6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene (PubChem CID 170518923) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene.

Molecular Properties

Compound Name6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene
PubChem CID170518923
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene
SMILESC1=CC2=C(NC1)C1=C(C=CCN1)C1N=c3cc4ccccc4cc3=NC21
InChIInChI=1S/C22H18N4/c1-2-6-14-12-18-17(11-13(14)5-1)25-21-15-7-3-9-23-19(15)20-16(22(21)26-18)8-4-10-24-20/h1-8,11-12,21-24H,9-10H2
InChIKeyUTXQKWABHBQSNQ-UHFFFAOYSA-N
XLogP1.67
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene with MolForge

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Related Compounds

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Hexahydrodibenzo[b,h][1,6]naphthyridine
CID 168266461
5,10-Dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline
CID 87773372
7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine
CID 89344936
(E)-N'-cyclohexyl-N-(2,3,4,7-tetrahydro-1H-cyclohepta[c]pyridin-3-ylmethyl)but-2-ene-1,4-diamine;2,3,5,6,7,8-hexahydroquinoline
CID 142416683
(Z)-N,N'-dimethyl-4-methylidene-2-[6-[2-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-1,4-dihydropyridin-3-yl]-2,3-dihydro-1,5-naphthyridin-3-yl]hept-2-ene-1,7-diamine
CID 156412817
N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine
CID 163682656

Frequently Asked Questions

What is the IUPAC name of 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene?
The IUPAC name of 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene (CID 170518923) is 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene.
What is the SMILES notation for 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene?
The canonical SMILES for 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene is C1=CC2=C(NC1)C1=C(C=CCN1)C1N=c3cc4ccccc4cc3=NC21.
What is the InChIKey of 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene?
The InChIKey is UTXQKWABHBQSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-2-6-14-12-18-17(11-13(14)5-1)25-21-15-7-3-9-23-19(15)20-16(22(21)26-18)8-4-10-24-20/h1-8,11-12,21-24H,9-10H2.
What are the key properties of 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene?
6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene has a molecular weight of 338.41 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene is sourced from PubChem (CID 170518923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).