11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene

C25H24N2 — CID 101157352

IUPAC11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene
SMILESc1ccc2c3ccc(c2c1)Cc1ccc(c2ccccc12)NCCCCN3
InChIInChI=1S/C25H24N2/c1-3-9-22-20(7-1)18-11-13-24(22)26-15-5-6-16-27-25-14-12-19(17-18)21-8-2-4-10-23(21)25/h1-4,7-14,26-27H,5-6,15-17H2
InChIKeyBTXYFUVKOVUAIH-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.20
Rot. Bonds

About 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene

11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene (PubChem CID 101157352) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene.

Molecular Properties

Compound Name11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene
PubChem CID101157352
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene
SMILESc1ccc2c3ccc(c2c1)Cc1ccc(c2ccccc12)NCCCCN3
InChIInChI=1S/C25H24N2/c1-3-9-22-20(7-1)18-11-13-24(22)26-15-5-6-16-27-25-14-12-19(17-18)21-8-2-4-10-23(21)25/h1-4,7-14,26-27H,5-6,15-17H2
InChIKeyBTXYFUVKOVUAIH-UHFFFAOYSA-N
XLogP6.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene with MolForge

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Related Compounds

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2,3,4,5-tetrahydro-1H-1-benzazepin-8-amine
CID 18444221
2,9-diazatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene
CID 102232178
1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 166454859
8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
CID 143099737
2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
CID 14892737
3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene
CID 15507128
2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene
CID 46894466

Frequently Asked Questions

What is the IUPAC name of 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene?
The IUPAC name of 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene (CID 101157352) is 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene.
What is the SMILES notation for 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene?
The canonical SMILES for 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene is c1ccc2c3ccc(c2c1)Cc1ccc(c2ccccc12)NCCCCN3.
What is the InChIKey of 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene?
The InChIKey is BTXYFUVKOVUAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-3-9-22-20(7-1)18-11-13-24(22)26-15-5-6-16-27-25-14-12-19(17-18)21-8-2-4-10-23(21)25/h1-4,7-14,26-27H,5-6,15-17H2.
What are the key properties of 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene?
11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene has a molecular weight of 352.48 g/mol, XLogP of 6.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene is sourced from PubChem (CID 101157352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).