9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene

C84H51N7 — CID 135212617

About 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene

9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene (PubChem CID 135212617) has the molecular formula C84H51N7 and a molecular weight of 1158.38 g/mol. Its IUPAC name is 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene.

Molecular Properties

• Compound Name: 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
• PubChem CID: 135212617
• Molecular Formula: C84H51N7
• Molecular Weight: 1158.38 g/mol
• Exact Mass: 1157.42
• IUPAC Name: 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
• SMILES: c1ccc(-c2ccc3c(c2)c2c(nc4c5ccccc5c5c(-c6ccccc6)cccc5n42)n3-c2cccc(-c3ccc4c(c3)c3ccccc3n3c4nc4c3c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc3n4-c3ccccc3)c2)cc1
• InChI: InChI=1S/C84H51N7/c1-5-21-52(22-6-1)55-41-45-75-70(49-55)80-84(85-81-67-34-14-13-33-66(67)78-62(53-23-7-2-8-24-53)35-20-38-76(78)91(80)81)89(75)61-30-19-25-54(47-61)56-40-44-68-69(48-56)64-32-16-18-37-73(64)90-79-71-50-57(42-46-74(71)88(83(79)86-82(68)90)60-28-11-4-12-29-60)58-39-43-65-63-31-15-17-36-72(63)87(77(65)51-58)59-26-9-3-10-27-59/h1-51H
• InChIKey: FXIODKWRXJQXPB-UHFFFAOYSA-N
• XLogP: 21.55
• TPSA: 49.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1158.38
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene?

The IUPAC name of 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene (CID 135212617) is 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene.

What is the SMILES notation for 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene?

The canonical SMILES for 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene is c1ccc(-c2ccc3c(c2)c2c(nc4c5ccccc5c5c(-c6ccccc6)cccc5n42)n3-c2cccc(-c3ccc4c(c3)c3ccccc3n3c4nc4c3c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc3n4-c3ccccc3)c2)cc1.

What is the InChIKey of 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene?

The InChIKey is FXIODKWRXJQXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H51N7/c1-5-21-52(22-6-1)55-41-45-75-70(49-55)80-84(85-81-67-34-14-13-33-66(67)78-62(53-23-7-2-8-24-53)35-20-38-76(78)91(80)81)89(75)61-30-19-25-54(47-61)56-40-44-68-69(48-56)64-32-16-18-37-73(64)90-79-71-50-57(42-46-74(71)88(83(79)86-82(68)90)60-28-11-4-12-29-60)58-39-43-65-63-31-15-17-36-72(63)87(77(65)51-58)59-26-9-3-10-27-59/h1-51H.

What are the key properties of 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene?

9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene has a molecular weight of 1158.38 g/mol, XLogP of 21.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 135212617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).