24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene

C92H50N8 — CID 134403979

About 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene

24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene (PubChem CID 134403979) has the molecular formula C92H50N8 and a molecular weight of 1267.47 g/mol. Its IUPAC name is 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene.

Molecular Properties

• Compound Name: 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene
• PubChem CID: 134403979
• Molecular Formula: C92H50N8
• Molecular Weight: 1267.47 g/mol
• Exact Mass: 1266.42
• IUPAC Name: 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4c5c6cc7ccccc7cc6n6c7ccccc7c(cc43)c56)nc3ccc4cc(-c5cccc6c5ccc5c6c6c7c8ccccc8n(-c8nc(-c9ccccc9)c9c(ccc%10ccccc%109)n8)c7cc7c8ccccc8n5c76)ccc4c23)cc1
• InChI: InChI=1S/C92H50N8/c1-3-21-52(22-4-1)87-80-59-27-10-9-20-51(59)39-43-70(80)93-92(95-87)100-75-37-18-14-31-66(75)84-79(100)50-68-63-29-11-15-34-72(63)97-76-45-42-61-58(32-19-33-64(61)82(76)86(84)90(68)97)56-38-41-60-57(46-56)40-44-71-81(60)88(53-23-5-2-6-24-53)96-91(94-71)99-74-36-17-13-30-65(74)83-78(99)49-67-62-28-12-16-35-73(62)98-77-48-55-26-8-7-25-54(55)47-69(77)85(83)89(67)98/h1-50H
• InChIKey: HOUSFDYFKKLSCI-UHFFFAOYSA-N
• XLogP: 23.68
• TPSA: 70.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1267.47
LogP ≤ 5	23.68
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 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene?

The IUPAC name of 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene (CID 134403979) is 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene.

What is the SMILES notation for 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene?

The canonical SMILES for 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene is c1ccc(-c2nc(-n3c4ccccc4c4c5c6cc7ccccc7cc6n6c7ccccc7c(cc43)c56)nc3ccc4cc(-c5cccc6c5ccc5c6c6c7c8ccccc8n(-c8nc(-c9ccccc9)c9c(ccc%10ccccc%109)n8)c7cc7c8ccccc8n5c76)ccc4c23)cc1.

What is the InChIKey of 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene?

The InChIKey is HOUSFDYFKKLSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H50N8/c1-3-21-52(22-4-1)87-80-59-27-10-9-20-51(59)39-43-70(80)93-92(95-87)100-75-37-18-14-31-66(75)84-79(100)50-68-63-29-11-15-34-72(63)97-76-45-42-61-58(32-19-33-64(61)82(76)86(84)90(68)97)56-38-41-60-57(46-56)40-44-71-81(60)88(53-23-5-2-6-24-53)96-91(94-71)99-74-36-17-13-30-65(74)83-78(99)49-67-62-28-12-16-35-73(62)98-77-48-55-26-8-7-25-54(55)47-69(77)85(83)89(67)98/h1-50H.

What are the key properties of 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene?

24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene has a molecular weight of 1267.47 g/mol, XLogP of 23.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-1-phenylbenzo[f]quinazolin-8-yl]-9-(1-phenylbenzo[f]quinazolin-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene is sourced from PubChem (CID 134403979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).