(5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol

C40H40N4O6 — CID 135410901

IUPAC(5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol
SMILESCc1cc2c(O)c(c1)/C=N\C[C@H]1OC(c3ccccc3)O[C@@H]1C/N=C/c1cc(C)cc(c1O)/C=N\C[C@H]1OC(c3ccccc3)O[C@@H]1C/N=C\2
InChIInChI=1S/C40H40N4O6/c1-25-13-29-17-41-21-33-35(49-39(47-33)27-9-5-3-6-10-27)23-43-19-31-15-26(2)16-32(38(31)46)20-44-24-36-34(22-42-18-30(14-25)37(29)45)48-40(50-36)28-11-7-4-8-12-28/h3-20,33-36,39-40,45-46H,21-24H2,1-2H3/b41-17-,42-18-,43-19-,44-20+/t33-,34-,35-,36-,39?,40?/m1/s1
InChIKeyGNRQEBWUHCLHKD-JKETYKHPSA-N
MW672.78 g/mol
LogP6.07
Rot. Bonds2

About (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol

(5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol (PubChem CID 135410901) has the molecular formula C40H40N4O6 and a molecular weight of 672.78 g/mol. Its IUPAC name is (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol.

Molecular Properties

Compound Name(5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol
PubChem CID135410901
Molecular FormulaC40H40N4O6
Molecular Weight672.78 g/mol
Exact Mass672.29
IUPAC Name(5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol
SMILESCc1cc2c(O)c(c1)/C=N\C[C@H]1OC(c3ccccc3)O[C@@H]1C/N=C/c1cc(C)cc(c1O)/C=N\C[C@H]1OC(c3ccccc3)O[C@@H]1C/N=C\2
InChIInChI=1S/C40H40N4O6/c1-25-13-29-17-41-21-33-35(49-39(47-33)27-9-5-3-6-10-27)23-43-19-31-15-26(2)16-32(38(31)46)20-44-24-36-34(22-42-18-30(14-25)37(29)45)48-40(50-36)28-11-7-4-8-12-28/h3-20,33-36,39-40,45-46H,21-24H2,1-2H3/b41-17-,42-18-,43-19-,44-20+/t33-,34-,35-,36-,39?,40?/m1/s1
InChIKeyGNRQEBWUHCLHKD-JKETYKHPSA-N
XLogP6.07
TPSA126.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.78
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-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 (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol?
The IUPAC name of (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol (CID 135410901) is (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol.
What is the SMILES notation for (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol?
The canonical SMILES for (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol is Cc1cc2c(O)c(c1)/C=N\C[C@H]1OC(c3ccccc3)O[C@@H]1C/N=C/c1cc(C)cc(c1O)/C=N\C[C@H]1OC(c3ccccc3)O[C@@H]1C/N=C\2.
What is the InChIKey of (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol?
The InChIKey is GNRQEBWUHCLHKD-JKETYKHPSA-N. The full InChI is InChI=1S/C40H40N4O6/c1-25-13-29-17-41-21-33-35(49-39(47-33)27-9-5-3-6-10-27)23-43-19-31-15-26(2)16-32(38(31)46)20-44-24-36-34(22-42-18-30(14-25)37(29)45)48-40(50-36)28-11-7-4-8-12-28/h3-20,33-36,39-40,45-46H,21-24H2,1-2H3/b41-17-,42-18-,43-19-,44-20+/t33-,34-,35-,36-,39?,40?/m1/s1.
What are the key properties of (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol?
(5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol has a molecular weight of 672.78 g/mol, XLogP of 6.07, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R,21R,25R)-15,31-dimethyl-7,23-diphenyl-6,8,22,24-tetraoxa-3,11,19,27-tetrazapentacyclo[27.3.1.113,17.05,9.021,25]tetratriaconta-1(32),2,11,13,15,17(34),18,27,29(33),30-decaene-33,34-diol is sourced from PubChem (CID 135410901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).