1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione

C29H26N8O2 — CID 132527591

IUPAC1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione
SMILESCN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(c2N2C(=O)C=CC2=O)N(C)c2cccc1n2
InChIInChI=1S/C29H26N8O2/c1-33-19-9-5-10-20(29(19)37-27(38)17-18-28(37)39)34(2)22-12-7-14-24(31-22)36(4)26-16-8-15-25(32-26)35(3)23-13-6-11-21(33)30-23/h5-18H,1-4H3
InChIKeyDOWYBBAQQDZYLA-UHFFFAOYSA-N
MW518.58 g/mol
LogP4.69
Rot. Bonds1

About 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione

1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione (PubChem CID 132527591) has the molecular formula C29H26N8O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione
PubChem CID132527591
Molecular FormulaC29H26N8O2
Molecular Weight518.58 g/mol
Exact Mass518.22
IUPAC Name1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione
SMILESCN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(c2N2C(=O)C=CC2=O)N(C)c2cccc1n2
InChIInChI=1S/C29H26N8O2/c1-33-19-9-5-10-20(29(19)37-27(38)17-18-28(37)39)34(2)22-12-7-14-24(31-22)36(4)26-16-8-15-25(32-26)35(3)23-13-6-11-21(33)30-23/h5-18H,1-4H3
InChIKeyDOWYBBAQQDZYLA-UHFFFAOYSA-N
XLogP4.69
TPSA89.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione (CID 132527591) is 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione is CN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(c2N2C(=O)C=CC2=O)N(C)c2cccc1n2.
What is the InChIKey of 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione?
The InChIKey is DOWYBBAQQDZYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O2/c1-33-19-9-5-10-20(29(19)37-27(38)17-18-28(37)39)34(2)22-12-7-14-24(31-22)36(4)26-16-8-15-25(32-26)35(3)23-13-6-11-21(33)30-23/h5-18H,1-4H3.
What are the key properties of 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione?
1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione has a molecular weight of 518.58 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)pyrrole-2,5-dione is sourced from PubChem (CID 132527591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).