2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol

C127H121N11O14 — CID 163748319

About 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol

2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol (PubChem CID 163748319) has the molecular formula C127H121N11O14 and a molecular weight of 2025.43 g/mol. Its IUPAC name is 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol.

Molecular Properties

• Compound Name: 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol
• PubChem CID: 163748319
• Molecular Formula: C127H121N11O14
• Molecular Weight: 2025.43 g/mol
• Exact Mass: 2023.91
• IUPAC Name: 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol
• SMILES: COc1ccc2c(c1)=NC1=C(C=Cc3cccc(OC)c3O)CCCC=21.COc1ccc2c3c([nH]c2c1)/C1=C\Cc2ccc(c(OC)c2O)N2CCc4c([nH]c5cc(OC)ccc45)/C2=C\Cc2ccc(c(OC)c2O)N2CCc4c([nH]c5cc(C)ccc45)/C2=C\Cc2ccc(c(C)c2O)N1CC3.COc1ccc2c3c([nH]c2c1)C(C=Cc1cccc(OC)c1O)=NCC3.Cc1ccc2c3c([nH]c2c1)C(C=Cc1cccc(C)c1O)=NCC3
• InChI: InChI=1S/C63H60N6O7.C22H21NO3.C21H20N2O3.C21H20N2O/c1-34-7-16-41-44-26-29-68-52(57(44)64-47(41)31-34)20-9-36-8-19-50(35(2)59(36)70)67-28-25-45-42-17-14-39(73-3)32-48(42)65-56(45)51(67)21-10-37-12-23-55(63(76-6)60(37)71)69-30-27-46-43-18-15-40(74-4)33-49(43)66-58(46)53(69)22-11-38-13-24-54(68)62(75-5)61(38)72;1-25-16-11-12-17-18-7-3-5-14(21(18)23-19(17)13-16)9-10-15-6-4-8-20(26-2)22(15)24;1-25-14-7-8-15-16-10-11-22-17(20(16)23-18(15)12-14)9-6-13-4-3-5-19(26-2)21(13)24;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/h7-8,12-24,31-33,64-66,70-72H,9-11,25-30H2,1-6H3;4,6,8-13,24H,3,5,7H2,1-2H3;3-9,12,23-24H,10-11H2,1-2H3;3-9,12,23-24H,10-11H2,1-2H3/b51-21+,52-20+,53-22+
• InChIKey: GHEFJFXGFOQZDV-QDUWTPTESA-N
• XLogP: 23.99
• TPSA: 320.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2025.43
LogP ≤ 5	23.99
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol?

The IUPAC name of 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol (CID 163748319) is 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol.

What is the SMILES notation for 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol?

The canonical SMILES for 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol is COc1ccc2c(c1)=NC1=C(C=Cc3cccc(OC)c3O)CCCC=21.COc1ccc2c3c([nH]c2c1)/C1=C\Cc2ccc(c(OC)c2O)N2CCc4c([nH]c5cc(OC)ccc45)/C2=C\Cc2ccc(c(OC)c2O)N2CCc4c([nH]c5cc(C)ccc45)/C2=C\Cc2ccc(c(C)c2O)N1CC3.COc1ccc2c3c([nH]c2c1)C(C=Cc1cccc(OC)c1O)=NCC3.Cc1ccc2c3c([nH]c2c1)C(C=Cc1cccc(C)c1O)=NCC3.

What is the InChIKey of 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol?

The InChIKey is GHEFJFXGFOQZDV-QDUWTPTESA-N. The full InChI is InChI=1S/C63H60N6O7.C22H21NO3.C21H20N2O3.C21H20N2O/c1-34-7-16-41-44-26-29-68-52(57(44)64-47(41)31-34)20-9-36-8-19-50(35(2)59(36)70)67-28-25-45-42-17-14-39(73-3)32-48(42)65-56(45)51(67)21-10-37-12-23-55(63(76-6)60(37)71)69-30-27-46-43-18-15-40(74-4)33-49(43)66-58(46)53(69)22-11-38-13-24-54(68)62(75-5)61(38)72;1-25-16-11-12-17-18-7-3-5-14(21(18)23-19(17)13-16)9-10-15-6-4-8-20(26-2)22(15)24;1-25-14-7-8-15-16-10-11-22-17(20(16)23-18(15)12-14)9-6-13-4-3-5-19(26-2)21(13)24;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/h7-8,12-24,31-33,64-66,70-72H,9-11,25-30H2,1-6H3;4,6,8-13,24H,3,5,7H2,1-2H3;3-9,12,23-24H,10-11H2,1-2H3;3-9,12,23-24H,10-11H2,1-2H3/b51-21+,52-20+,53-22+;;;.

What are the key properties of 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol?

2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol has a molecular weight of 2025.43 g/mol, XLogP of 23.99, 14 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol is sourced from PubChem (CID 163748319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).