12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

C62H62Cl3N11 — CID 123144969

About 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene (PubChem CID 123144969) has the molecular formula C62H62Cl3N11 and a molecular weight of 1067.61 g/mol. Its IUPAC name is 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene.

Molecular Properties

• Compound Name: 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
• PubChem CID: 123144969
• Molecular Formula: C62H62Cl3N11
• Molecular Weight: 1067.61 g/mol
• Exact Mass: 1065.43
• IUPAC Name: 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
• SMILES: Cc1ccc(C2Cn3c4c(c5cc(Cl)ccc53)CN(Cc3cc(C5Cn6c7c(c8cc(Cl)ccc86)CN(Cc6cccc(C8Cn9c%10c(c%11cc(Cl)ccc%119)CN(C)CC%10N8C)c6)CC7N5C)ccn3)CC4N2C)cn1
• InChI: InChI=1S/C62H62Cl3N11/c1-36-9-10-40(24-67-36)56-35-76-53-16-13-43(65)23-47(53)50-29-73(32-59(62(50)76)71(56)5)26-44-20-39(17-18-66-44)55-34-75-52-15-12-42(64)22-46(52)49-28-72(31-58(61(49)75)70(55)4)25-37-7-6-8-38(19-37)54-33-74-51-14-11-41(63)21-45(51)48-27-68(2)30-57(60(48)74)69(54)3/h6-24,54-59H,25-35H2,1-5H3
• InChIKey: KQHGTRNDBKINTA-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 60.01 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1067.61
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene?

The IUPAC name of 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene (CID 123144969) is 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene.

What is the SMILES notation for 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene?

The canonical SMILES for 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene is Cc1ccc(C2Cn3c4c(c5cc(Cl)ccc53)CN(Cc3cc(C5Cn6c7c(c8cc(Cl)ccc86)CN(Cc6cccc(C8Cn9c%10c(c%11cc(Cl)ccc%119)CN(C)CC%10N8C)c6)CC7N5C)ccn3)CC4N2C)cn1.

What is the InChIKey of 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene?

The InChIKey is KQHGTRNDBKINTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62Cl3N11/c1-36-9-10-40(24-67-36)56-35-76-53-16-13-43(65)23-47(53)50-29-73(32-59(62(50)76)71(56)5)26-44-20-39(17-18-66-44)55-34-75-52-15-12-42(64)22-46(52)49-28-72(31-58(61(49)75)70(55)4)25-37-7-6-8-38(19-37)54-33-74-51-14-11-41(63)21-45(51)48-27-68(2)30-57(60(48)74)69(54)3/h6-24,54-59H,25-35H2,1-5H3.

What are the key properties of 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene?

12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene has a molecular weight of 1067.61 g/mol, XLogP of 12.27, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 12-chloro-3-[3-[[12-chloro-3-[2-[[12-chloro-4-methyl-3-(6-methyl-3-pyridinyl)-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]-4-pyridinyl]-4-methyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-7-yl]methyl]phenyl]-4,7-dimethyl-1,4,7-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene is sourced from PubChem (CID 123144969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).