11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol

C38H28Br2N2O4 — CID 134864370

IUPAC11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
SMILESOc1c2cc(Br)cc1Cc1cccc(c1Oc1ccccn1)Cc1cc(Br)cc(c1O)Cc1cccc(c1Oc1ccccn1)C2
InChIInChI=1S/C38H28Br2N2O4/c39-31-19-27-15-23-7-5-8-24(37(23)45-33-11-1-3-13-41-33)16-28-20-32(40)22-30(36(28)44)18-26-10-6-9-25(17-29(21-31)35(27)43)38(26)46-34-12-2-4-14-42-34/h1-14,19-22,43-44H,15-18H2
InChIKeyDMBCEQNIXNBGAA-UHFFFAOYSA-N
MW736.46 g/mol
LogP9.67
Rot. Bonds4

About 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol

11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol (PubChem CID 134864370) has the molecular formula C38H28Br2N2O4 and a molecular weight of 736.46 g/mol. Its IUPAC name is 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol.

Molecular Properties

Compound Name11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
PubChem CID134864370
Molecular FormulaC38H28Br2N2O4
Molecular Weight736.46 g/mol
Exact Mass734.04
IUPAC Name11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
SMILESOc1c2cc(Br)cc1Cc1cccc(c1Oc1ccccn1)Cc1cc(Br)cc(c1O)Cc1cccc(c1Oc1ccccn1)C2
InChIInChI=1S/C38H28Br2N2O4/c39-31-19-27-15-23-7-5-8-24(37(23)45-33-11-1-3-13-41-33)16-28-20-32(40)22-30(36(28)44)18-26-10-6-9-25(17-29(21-31)35(27)43)38(26)46-34-12-2-4-14-42-34/h1-14,19-22,43-44H,15-18H2
InChIKeyDMBCEQNIXNBGAA-UHFFFAOYSA-N
XLogP9.67
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.46
LogP ≤ 59.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
The IUPAC name of 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol (CID 134864370) is 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol.
What is the SMILES notation for 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
The canonical SMILES for 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol is Oc1c2cc(Br)cc1Cc1cccc(c1Oc1ccccn1)Cc1cc(Br)cc(c1O)Cc1cccc(c1Oc1ccccn1)C2.
What is the InChIKey of 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
The InChIKey is DMBCEQNIXNBGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28Br2N2O4/c39-31-19-27-15-23-7-5-8-24(37(23)45-33-11-1-3-13-41-33)16-28-20-32(40)22-30(36(28)44)18-26-10-6-9-25(17-29(21-31)35(27)43)38(26)46-34-12-2-4-14-42-34/h1-14,19-22,43-44H,15-18H2.
What are the key properties of 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol has a molecular weight of 736.46 g/mol, XLogP of 9.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,23-dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol is sourced from PubChem (CID 134864370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).