26,27,28-tripyridin-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-dodecaen-25-ol

C43H33N3O4 — CID 11445194

IUPAC26,27,28-tripyridin-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-dodecaen-25-ol
SMILESOc1c2cccc1Cc1cccc(c1Oc1ccccn1)Cc1cccc(c1Oc1ccccn1)Cc1cccc(c1Oc1ccccn1)C2
InChIInChI=1S/C43H33N3O4/c47-40-29-11-7-12-30(40)26-32-14-9-16-34(42(32)49-38-20-2-5-23-45-38)28-36-18-10-17-35(43(36)50-39-21-3-6-24-46-39)27-33-15-8-13-31(25-29)41(33)48-37-19-1-4-22-44-37/h1-24,47H,25-28H2
InChIKeyVJETXCBDCTUDMN-UHFFFAOYSA-N
MW655.75 g/mol
LogP9.63
Rot. Bonds6

About 26,27,28-tripyridin-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-dodecaen-25-ol

26,27,28-tripyridin-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-dodecaen-25-ol (PubChem CID 11445194) has the molecular formula C43H33N3O4 and a molecular weight of 655.75 g/mol. Its IUPAC name is 26,27,28-tripyridin-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-dodecaen-25-ol.

Molecular Properties

Compound Name26,27,28-tripyridin-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-dodecaen-25-ol
PubChem CID11445194
Molecular FormulaC43H33N3O4
Molecular Weight655.75 g/mol
Exact Mass655.25
IUPAC Name26,27,28-tripyridin-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-dodecaen-25-ol
SMILESOc1c2cccc1Cc1cccc(c1Oc1ccccn1)Cc1cccc(c1Oc1ccccn1)Cc1cccc(c1Oc1ccccn1)C2
InChIInChI=1S/C43H33N3O4/c47-40-29-11-7-12-30(40)26-32-14-9-16-34(42(32)49-38-20-2-5-23-45-38)28-36-18-10-17-35(43(36)50-39-21-3-6-24-46-39)27-33-15-8-13-31(25-29)41(33)48-37-19-1-4-22-44-37/h1-24,47H,25-28H2
InChIKeyVJETXCBDCTUDMN-UHFFFAOYSA-N
XLogP9.63
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.75
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 26,27,28-tripyridin-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-dodecaen-25-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 26,27,28-tripyridin-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-dodecaen-25-ol?
The IUPAC name of 26,27,28-tripyridin-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-dodecaen-25-ol (CID 11445194) is 26,27,28-tripyridin-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-dodecaen-25-ol.
What is the SMILES notation for 26,27,28-tripyridin-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-dodecaen-25-ol?
The canonical SMILES for 26,27,28-tripyridin-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-dodecaen-25-ol is Oc1c2cccc1Cc1cccc(c1Oc1ccccn1)Cc1cccc(c1Oc1ccccn1)Cc1cccc(c1Oc1ccccn1)C2.
What is the InChIKey of 26,27,28-tripyridin-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-dodecaen-25-ol?
The InChIKey is VJETXCBDCTUDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3O4/c47-40-29-11-7-12-30(40)26-32-14-9-16-34(42(32)49-38-20-2-5-23-45-38)28-36-18-10-17-35(43(36)50-39-21-3-6-24-46-39)27-33-15-8-13-31(25-29)41(33)48-37-19-1-4-22-44-37/h1-24,47H,25-28H2.
What are the key properties of 26,27,28-tripyridin-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-dodecaen-25-ol?
26,27,28-tripyridin-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-dodecaen-25-ol has a molecular weight of 655.75 g/mol, XLogP of 9.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 26,27,28-tripyridin-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-dodecaen-25-ol is sourced from PubChem (CID 11445194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).