3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene

C18H34N10 — CID 15440364

IUPAC3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene
SMILESc1c2n[nH]c1CNCCNCCNCc1cc(n[nH]1)CNCCNCCNC2
InChIInChI=1S/C18H34N10/c1-5-21-11-15-9-16(26-25-15)13-23-7-3-20-4-8-24-14-18-10-17(27-28-18)12-22-6-2-19-1/h9-10,19-24H,1-8,11-14H2,(H,25,26)(H,27,28)
InChIKeyZKRCPULUZCZXAY-UHFFFAOYSA-N
MW390.54 g/mol
LogP-1.62
Rot. Bonds

About 3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene

3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene (PubChem CID 15440364) has the molecular formula C18H34N10 and a molecular weight of 390.54 g/mol. Its IUPAC name is 3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene.

Molecular Properties

Compound Name3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene
PubChem CID15440364
Molecular FormulaC18H34N10
Molecular Weight390.54 g/mol
Exact Mass390.30
IUPAC Name3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene
SMILESc1c2n[nH]c1CNCCNCCNCc1cc(n[nH]1)CNCCNCCNC2
InChIInChI=1S/C18H34N10/c1-5-21-11-15-9-16(26-25-15)13-23-7-3-20-4-8-24-14-18-10-17(27-28-18)12-22-6-2-19-1/h9-10,19-24H,1-8,11-14H2,(H,25,26)(H,27,28)
InChIKeyZKRCPULUZCZXAY-UHFFFAOYSA-N
XLogP-1.62
TPSA129.54 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.54
LogP ≤ 5-1.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene?
The IUPAC name of 3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene (CID 15440364) is 3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene.
What is the SMILES notation for 3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene?
The canonical SMILES for 3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene is c1c2n[nH]c1CNCCNCCNCc1cc(n[nH]1)CNCCNCCNC2.
What is the InChIKey of 3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene?
The InChIKey is ZKRCPULUZCZXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N10/c1-5-21-11-15-9-16(26-25-15)13-23-7-3-20-4-8-24-14-18-10-17(27-28-18)12-22-6-2-19-1/h9-10,19-24H,1-8,11-14H2,(H,25,26)(H,27,28).
What are the key properties of 3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene?
3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene has a molecular weight of 390.54 g/mol, XLogP of -1.62, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene is sourced from PubChem (CID 15440364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).