methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol

C67H66N6O15 — CID 139199236

IUPACmethanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol
SMILESCCC1c2cc(c(O)c(O)c2O)[C@H](CC)c2cc(c(O)c(O)c2O)C(CC)c2cc(c(O)c(O)c2O)[C@@H](CC)c2cc1c(O)c(O)c2O.CO.Oc1ccc2ccccc2c1/N=N/c1ccccn1.Oc1ccc2ccccc2c1/N=N/c1ccccn1
InChIInChI=1S/C36H40O12.2C15H11N3O.CH4O/c1-5-13-17-9-19(27(39)33(45)25(17)37)14(6-2)21-11-23(31(43)35(47)29(21)41)16(8-4)24-12-22(30(42)36(48)32(24)44)15(7-3)20-10-18(13)26(38)34(46)28(20)40;2*19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14;1-2/h9-16,37-48H,5-8H2,1-4H3;2*1-10,19H;2H,1H3/b;2*18-17+;/t13-,14?,15?,16-;;;
InChIKeyAAPMHDLNTRLRDK-YBTHUGBFSA-N
MW1195.29 g/mol
LogP14.95
Rot. Bonds8

About methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol

methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol (PubChem CID 139199236) has the molecular formula C67H66N6O15 and a molecular weight of 1195.29 g/mol. Its IUPAC name is methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol.

Molecular Properties

Compound Namemethanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol
PubChem CID139199236
Molecular FormulaC67H66N6O15
Molecular Weight1195.29 g/mol
Exact Mass1194.46
IUPAC Namemethanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol
SMILESCCC1c2cc(c(O)c(O)c2O)[C@H](CC)c2cc(c(O)c(O)c2O)C(CC)c2cc(c(O)c(O)c2O)[C@@H](CC)c2cc1c(O)c(O)c2O.CO.Oc1ccc2ccccc2c1/N=N/c1ccccn1.Oc1ccc2ccccc2c1/N=N/c1ccccn1
InChIInChI=1S/C36H40O12.2C15H11N3O.CH4O/c1-5-13-17-9-19(27(39)33(45)25(17)37)14(6-2)21-11-23(31(43)35(47)29(21)41)16(8-4)24-12-22(30(42)36(48)32(24)44)15(7-3)20-10-18(13)26(38)34(46)28(20)40;2*19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14;1-2/h9-16,37-48H,5-8H2,1-4H3;2*1-10,19H;2H,1H3/b;2*18-17+;/t13-,14?,15?,16-;;;
InChIKeyAAPMHDLNTRLRDK-YBTHUGBFSA-N
XLogP14.95
TPSA378.67 Ų
H-Bond Donors15
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001195.29
LogP ≤ 514.95
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol 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 methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol?
The IUPAC name of methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol (CID 139199236) is methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol.
What is the SMILES notation for methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol?
The canonical SMILES for methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol is CCC1c2cc(c(O)c(O)c2O)[C@H](CC)c2cc(c(O)c(O)c2O)C(CC)c2cc(c(O)c(O)c2O)[C@@H](CC)c2cc1c(O)c(O)c2O.CO.Oc1ccc2ccccc2c1/N=N/c1ccccn1.Oc1ccc2ccccc2c1/N=N/c1ccccn1.
What is the InChIKey of methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol?
The InChIKey is AAPMHDLNTRLRDK-YBTHUGBFSA-N. The full InChI is InChI=1S/C36H40O12.2C15H11N3O.CH4O/c1-5-13-17-9-19(27(39)33(45)25(17)37)14(6-2)21-11-23(31(43)35(47)29(21)41)16(8-4)24-12-22(30(42)36(48)32(24)44)15(7-3)20-10-18(13)26(38)34(46)28(20)40;2*19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14;1-2/h9-16,37-48H,5-8H2,1-4H3;2*1-10,19H;2H,1H3/b;2*18-17+;/t13-,14?,15?,16-;;;.
What are the key properties of methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol?
methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol has a molecular weight of 1195.29 g/mol, XLogP of 14.95, 8 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[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-4,5,6,10,11,12,16,17,18,22,23,24-dodecol is sourced from PubChem (CID 139199236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).