9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene

C64H38N8 — CID 89308893

About 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene

9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene (PubChem CID 89308893) has the molecular formula C64H38N8 and a molecular weight of 919.06 g/mol. Its IUPAC name is 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene.

Molecular Properties

• Compound Name: 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene
• PubChem CID: 89308893
• Molecular Formula: C64H38N8
• Molecular Weight: 919.06 g/mol
• Exact Mass: 918.32
• IUPAC Name: 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene
• SMILES: c1ccc(-c2c(-c3ccc(-n4c5cccnc5c5c6ccc7cc8c(c9ccc(cc54)c6c79)c4ncccc4n8-c4ccc(-c5nc6ccccn6c5-c5ccccc5)cc4)cc3)nc3ccccn23)cc1
• InChI: InChI=1S/C64H38N8/c1-3-13-41(14-4-1)63-59(67-53-19-7-9-35-69(53)63)39-21-27-45(28-22-39)71-49-17-11-33-65-61(49)57-47-31-26-44-38-52-58(48-32-25-43(37-51(57)71)55(47)56(44)48)62-50(18-12-34-66-62)72(52)46-29-23-40(24-30-46)60-64(42-15-5-2-6-16-42)70-36-10-8-20-54(70)68-60/h1-38H
• InChIKey: ZZWSRALCTHERFP-UHFFFAOYSA-N
• XLogP: 15.53
• TPSA: 70.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.06
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene?

The IUPAC name of 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene (CID 89308893) is 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene.

What is the SMILES notation for 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene?

The canonical SMILES for 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene is c1ccc(-c2c(-c3ccc(-n4c5cccnc5c5c6ccc7cc8c(c9ccc(cc54)c6c79)c4ncccc4n8-c4ccc(-c5nc6ccccn6c5-c5ccccc5)cc4)cc3)nc3ccccn23)cc1.

What is the InChIKey of 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene?

The InChIKey is ZZWSRALCTHERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N8/c1-3-13-41(14-4-1)63-59(67-53-19-7-9-35-69(53)63)39-21-27-45(28-22-39)71-49-17-11-33-65-61(49)57-47-31-26-44-38-52-58(48-32-25-43(37-51(57)71)55(47)56(44)48)62-50(18-12-34-66-62)72(52)46-29-23-40(24-30-46)60-64(42-15-5-2-6-16-42)70-36-10-8-20-54(70)68-60/h1-38H.

What are the key properties of 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene?

9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene has a molecular weight of 919.06 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9,23-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene is sourced from PubChem (CID 89308893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).