5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol)

C127H121N11O11 — CID 163980114

About 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol)

5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol) (PubChem CID 163980114) has the molecular formula C127H121N11O11 and a molecular weight of 1977.43 g/mol. Its IUPAC name is 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol).

Molecular Properties

• Compound Name: 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol)
• PubChem CID: 163980114
• Molecular Formula: C127H121N11O11
• Molecular Weight: 1977.43 g/mol
• Exact Mass: 1975.92
• IUPAC Name: 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol)
• SMILES: COc1ccc2c(c1)=NC1=C3CCc4c(ccc(OC)c4O)N4CCC5=c6ccc(C)cc6=NC5=C4CCc4c(ccc(C)c4O)N3CCC=21.COc1ccc2c(c1)CC1=C2CCN=C1C=Cc1cccc(OC)c1O.COc1cccc(C=CC2=NCCc3c2[nH]c2cc(C)ccc32)c1O.Cc1ccc2c3c([nH]c2c1)C(C=Cc1cccc(C)c1O)=NCC3.Cc1ccc2c3c([nH]c2c1)C(C=Cc1cccc(C)c1O)=NCC3
• InChI: InChI=1S/C42H40N4O4.C22H21NO3.C21H20N2O2.2C21H20N2O/c1-23-5-8-26-28-17-20-46-35-15-16-38(50-4)42(48)31(35)11-14-37-40-29(27-9-7-25(49-3)22-33(27)44-40)18-19-45(37)34-12-6-24(2)41(47)30(34)10-13-36(46)39(28)43-32(26)21-23;1-25-16-7-8-17-15(12-16)13-19-18(17)10-11-23-20(19)9-6-14-4-3-5-21(26-2)22(14)24;1-13-6-8-15-16-10-11-22-17(20(16)23-18(15)12-13)9-7-14-4-3-5-19(25-2)21(14)24;2*1-13-6-8-16-17-10-11-22-18(20(17)23-19(16)12-13)9-7-15-5-3-4-14(2)21(15)24/h5-9,12,15-16,21-22,47-48H,10-11,13-14,17-20H2,1-4H3;3-9,12,24H,10-11,13H2,1-2H3;3-9,12,23-24H,10-11H2,1-2H3;2*3-9,12,23-24H,10-11H2,1-2H3
• InChIKey: JLZOFZGZKJXSKT-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 295.54 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1977.43
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol)?

The IUPAC name of 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol) (CID 163980114) is 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol).

What is the SMILES notation for 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol)?

The canonical SMILES for 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol) is COc1ccc2c(c1)=NC1=C3CCc4c(ccc(OC)c4O)N4CCC5=c6ccc(C)cc6=NC5=C4CCc4c(ccc(C)c4O)N3CCC=21.COc1ccc2c(c1)CC1=C2CCN=C1C=Cc1cccc(OC)c1O.COc1cccc(C=CC2=NCCc3c2[nH]c2cc(C)ccc32)c1O.Cc1ccc2c3c([nH]c2c1)C(C=Cc1cccc(C)c1O)=NCC3.Cc1ccc2c3c([nH]c2c1)C(C=Cc1cccc(C)c1O)=NCC3.

What is the InChIKey of 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol)?

The InChIKey is JLZOFZGZKJXSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N4O4.C22H21NO3.C21H20N2O2.2C21H20N2O/c1-23-5-8-26-28-17-20-46-35-15-16-38(50-4)42(48)31(35)11-14-37-40-29(27-9-7-25(49-3)22-33(27)44-40)18-19-45(37)34-12-6-24(2)41(47)30(34)10-13-36(46)39(28)43-32(26)21-23;1-25-16-7-8-17-15(12-16)13-19-18(17)10-11-23-20(19)9-6-14-4-3-5-21(26-2)22(14)24;1-13-6-8-15-16-10-11-22-17(20(16)23-18(15)12-13)9-7-14-4-3-5-19(25-2)21(14)24;2*1-13-6-8-16-17-10-11-22-18(20(17)23-19(16)12-13)9-7-15-5-3-4-14(2)21(15)24/h5-9,12,15-16,21-22,47-48H,10-11,13-14,17-20H2,1-4H3;3-9,12,24H,10-11,13H2,1-2H3;3-9,12,23-24H,10-11H2,1-2H3;2*3-9,12,23-24H,10-11H2,1-2H3.

What are the key properties of 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol)?

5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol) has a molecular weight of 1977.43 g/mol, XLogP of 22.75, 13 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5,15-dimethoxy-26,36-dimethyl-1,12,22,33-tetrazanonacyclo[29.11.0.02,7.010,22.011,19.013,18.023,28.032,40.034,39]dotetraconta-2(7),3,5,10,12,14,16,18,23(28),24,26,31,33,35,37,39-hexadecaene-6,27-diol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-indeno[2,1-c]pyridin-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;bis(2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol) is sourced from PubChem (CID 163980114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).