4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene

C30H30N2O2 — CID 59342039

IUPAC4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
SMILESCOc1cc2cc(c1)C(C)(C)c1cc(OC)cc(c1)-c1cccc(n1)C(C)(C)c1cccc-2n1
InChIInChI=1S/C30H30N2O2/c1-29(2)21-13-19(15-23(17-21)33-5)25-9-7-11-27(31-25)30(3,4)28-12-8-10-26(32-28)20-14-22(29)18-24(16-20)34-6/h7-18H,1-6H3
InChIKeyNVQPFYXKSLMRHD-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.79
Rot. Bonds2

About 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene

4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene (PubChem CID 59342039) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene.

Molecular Properties

Compound Name4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
PubChem CID59342039
Molecular FormulaC30H30N2O2
Molecular Weight450.58 g/mol
Exact Mass450.23
IUPAC Name4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
SMILESCOc1cc2cc(c1)C(C)(C)c1cc(OC)cc(c1)-c1cccc(n1)C(C)(C)c1cccc-2n1
InChIInChI=1S/C30H30N2O2/c1-29(2)21-13-19(15-23(17-21)33-5)25-9-7-11-27(31-25)30(3,4)28-12-8-10-26(32-28)20-14-22(29)18-24(16-20)34-6/h7-18H,1-6H3
InChIKeyNVQPFYXKSLMRHD-UHFFFAOYSA-N
XLogP6.79
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene with MolForge

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Related Compounds

7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]
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Frequently Asked Questions

What is the IUPAC name of 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The IUPAC name of 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene (CID 59342039) is 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene.
What is the SMILES notation for 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The canonical SMILES for 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene is COc1cc2cc(c1)C(C)(C)c1cc(OC)cc(c1)-c1cccc(n1)C(C)(C)c1cccc-2n1.
What is the InChIKey of 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The InChIKey is NVQPFYXKSLMRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2/c1-29(2)21-13-19(15-23(17-21)33-5)25-9-7-11-27(31-25)30(3,4)28-12-8-10-26(32-28)20-14-22(29)18-24(16-20)34-6/h7-18H,1-6H3.
What are the key properties of 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene has a molecular weight of 450.58 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene is sourced from PubChem (CID 59342039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).