4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran

C60H34O — CID 134429033

About 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran

4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran (PubChem CID 134429033) has the molecular formula C60H34O and a molecular weight of 770.93 g/mol. Its IUPAC name is 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran.

Molecular Properties

• Compound Name: 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
• PubChem CID: 134429033
• Molecular Formula: C60H34O
• Molecular Weight: 770.93 g/mol
• Exact Mass: 770.26
• IUPAC Name: 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
• SMILES: c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3cccc4c3oc3ccccc34)c1-c1cc3c4ccccc4c4ccccc4c3cc1-2
• InChI: InChI=1S/C60H34O/c1-5-19-39-35(15-1)36-16-3-7-21-41(36)52-33-56-47-27-13-26-46(49-29-14-28-48-45-25-11-12-30-58(45)61-60(48)49)59(47)57-34-54-42-22-8-4-18-38(42)37-17-2-6-20-40(37)51(54)32-55(57)44-24-10-9-23-43(44)53(56)31-50(39)52/h1-34H/b53-43-,55-44-,56-47-,59-57-
• InChIKey: OXUYDWNWRAZCLG-BKTGOBJGSA-N
• XLogP: 17.15
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.93
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran?

The IUPAC name of 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran (CID 134429033) is 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran.

What is the SMILES notation for 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran?

The canonical SMILES for 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran is c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1-c1cccc(-c3cccc4c3oc3ccccc34)c1-c1cc3c4ccccc4c4ccccc4c3cc1-2.

What is the InChIKey of 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran?

The InChIKey is OXUYDWNWRAZCLG-BKTGOBJGSA-N. The full InChI is InChI=1S/C60H34O/c1-5-19-39-35(15-1)36-16-3-7-21-41(36)52-33-56-47-27-13-26-46(49-29-14-28-48-45-25-11-12-30-58(45)61-60(48)49)59(47)57-34-54-42-22-8-4-18-38(42)37-17-2-6-20-40(37)51(54)32-55(57)44-24-10-9-23-43(44)53(56)31-50(39)52/h1-34H/b53-43-,55-44-,56-47-,59-57-.

What are the key properties of 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran?

4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran has a molecular weight of 770.93 g/mol, XLogP of 17.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran is sourced from PubChem (CID 134429033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).