26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol

C38H30N2O4 — CID 5254700

IUPAC26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol
SMILESOc1c2cccc1Cc1cccc(c1Oc1ccccn1)Cc1cccc(c1O)Cc1cccc(c1Oc1ccccn1)C2
InChIInChI=1S/C38H30N2O4/c41-35-25-9-5-11-27(35)23-31-15-8-16-32(38(31)44-34-18-2-4-20-40-34)24-28-12-6-10-26(36(28)42)22-30-14-7-13-29(21-25)37(30)43-33-17-1-3-19-39-33/h1-20,41-42H,21-24H2
InChIKeyIATZXBJBAHXHOO-UHFFFAOYSA-N
MW578.67 g/mol
LogP8.15
Rot. Bonds4

About 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol

26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol (PubChem CID 5254700) has the molecular formula C38H30N2O4 and a molecular weight of 578.67 g/mol. Its IUPAC name is 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol.

Molecular Properties

Compound Name26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol
PubChem CID5254700
Molecular FormulaC38H30N2O4
Molecular Weight578.67 g/mol
Exact Mass578.22
IUPAC Name26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol
SMILESOc1c2cccc1Cc1cccc(c1Oc1ccccn1)Cc1cccc(c1O)Cc1cccc(c1Oc1ccccn1)C2
InChIInChI=1S/C38H30N2O4/c41-35-25-9-5-11-27(35)23-31-15-8-16-32(38(31)44-34-18-2-4-20-40-34)24-28-12-6-10-26(36(28)42)22-30-14-7-13-29(21-25)37(30)43-33-17-1-3-19-39-33/h1-20,41-42H,21-24H2
InChIKeyIATZXBJBAHXHOO-UHFFFAOYSA-N
XLogP8.15
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol?
The IUPAC name of 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol (CID 5254700) is 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol.
What is the SMILES notation for 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol?
The canonical SMILES for 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol is Oc1c2cccc1Cc1cccc(c1Oc1ccccn1)Cc1cccc(c1O)Cc1cccc(c1Oc1ccccn1)C2.
What is the InChIKey of 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol?
The InChIKey is IATZXBJBAHXHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2O4/c41-35-25-9-5-11-27(35)23-31-15-8-16-32(38(31)44-34-18-2-4-20-40-34)24-28-12-6-10-26(36(28)42)22-30-14-7-13-29(21-25)37(30)43-33-17-1-3-19-39-33/h1-20,41-42H,21-24H2.
What are the key properties of 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol?
26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol has a molecular weight of 578.67 g/mol, XLogP of 8.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 26,28-dipyridin-2-yloxypentacyclo[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-dodecaene-25,27-diol is sourced from PubChem (CID 5254700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).