10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol

C115H87N15O3 — CID 155022473

About 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol

10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol (PubChem CID 155022473) has the molecular formula C115H87N15O3 and a molecular weight of 1727.06 g/mol. Its IUPAC name is 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol.

Molecular Properties

• Compound Name: 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol
• PubChem CID: 155022473
• Molecular Formula: C115H87N15O3
• Molecular Weight: 1727.06 g/mol
• Exact Mass: 1725.71
• IUPAC Name: 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol
• SMILES: Cc1cc(C)c(-c2ccc3c4ccc(Oc5ccc6c(c5)c5nccn5c5nc(-c7c(C)cc(C)cc7Cc7cc(Oc8ccc9c(c8)c8nc(-c%10cc%11c(cc%10O)c%10nccn%10c%10nc(-c%12c(C)cc(C)cc%12C)ccc%11%10)cn8c8nc(-c%10c(C)cc(C)cc%10C)ccc98)cc8c7c7ccc(-c9c(C)cc(C)cc9C)nc7n7ccnc87)ccc65)cc4c4nccn4c3n2)c(C)c1
• InChI: InChI=1S/C115H87N15O3/c1-58-39-63(6)100(64(7)40-58)93-26-21-81-78-18-15-74(51-87(78)106-116-31-35-126(106)110(81)120-93)132-75-16-19-79-82-23-29-97(124-111(82)127-36-32-117-107(127)88(79)52-75)104-71(14)47-62(5)48-72(104)49-73-50-77(54-92-105(73)85-25-30-96(103-69(12)45-61(4)46-70(103)13)123-114(85)129-38-34-119-109(92)129)133-76-17-20-80-83-22-27-95(102-67(10)43-60(3)44-68(102)11)122-113(83)130-57-98(125-115(130)89(80)53-76)91-55-86-84-24-28-94(101-65(8)41-59(2)42-66(101)9)121-112(84)128-37-33-118-108(128)90(86)56-99(91)131/h15-48,50-57,131H,49H2,1-14H3
• InChIKey: VOLCAWIBPPPRTJ-UHFFFAOYSA-N
• XLogP: 27.63
• TPSA: 189.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1727.06
LogP ≤ 5	27.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol?

The IUPAC name of 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol (CID 155022473) is 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol.

What is the SMILES notation for 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol?

The canonical SMILES for 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol is Cc1cc(C)c(-c2ccc3c4ccc(Oc5ccc6c(c5)c5nccn5c5nc(-c7c(C)cc(C)cc7Cc7cc(Oc8ccc9c(c8)c8nc(-c%10cc%11c(cc%10O)c%10nccn%10c%10nc(-c%12c(C)cc(C)cc%12C)ccc%11%10)cn8c8nc(-c%10c(C)cc(C)cc%10C)ccc98)cc8c7c7ccc(-c9c(C)cc(C)cc9C)nc7n7ccnc87)ccc65)cc4c4nccn4c3n2)c(C)c1.

What is the InChIKey of 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol?

The InChIKey is VOLCAWIBPPPRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H87N15O3/c1-58-39-63(6)100(64(7)40-58)93-26-21-81-78-18-15-74(51-87(78)106-116-31-35-126(106)110(81)120-93)132-75-16-19-79-82-23-29-97(124-111(82)127-36-32-117-107(127)88(79)52-75)104-71(14)47-62(5)48-72(104)49-73-50-77(54-92-105(73)85-25-30-96(103-69(12)45-61(4)46-70(103)13)123-114(85)129-38-34-119-109(92)129)133-76-17-20-80-83-22-27-95(102-67(10)43-60(3)44-68(102)11)122-113(83)130-57-98(125-115(130)89(80)53-76)91-55-86-84-24-28-94(101-65(8)41-59(2)42-66(101)9)121-112(84)128-37-33-118-108(128)90(86)56-99(91)131/h15-48,50-57,131H,49H2,1-14H3.

What are the key properties of 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol?

10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol has a molecular weight of 1727.06 g/mol, XLogP of 27.63, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-[[11-[[3,5-dimethyl-2-[9-[[16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl]oxy]-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-16-yl]phenyl]methyl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-yl]oxy]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]-16-(2,4,6-trimethylphenyl)-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-9-ol is sourced from PubChem (CID 155022473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).