28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene

C52H30N4 — CID 130259894

About 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene

28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene (PubChem CID 130259894) has the molecular formula C52H30N4 and a molecular weight of 710.84 g/mol. Its IUPAC name is 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene.

Molecular Properties

• Compound Name: 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
• PubChem CID: 130259894
• Molecular Formula: C52H30N4
• Molecular Weight: 710.84 g/mol
• Exact Mass: 710.25
• IUPAC Name: 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
• SMILES: c1ccc2cc(-c3nc4ccccc4nc3-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccc9ccccc9c8c(c54)c67)cc3)ccc2c1
• InChI: InChI=1S/C52H30N4/c1-2-13-34-29-35(22-21-31(34)11-1)50-49(53-42-17-7-8-18-43(42)54-50)33-23-26-36(27-24-33)55-44-19-9-5-15-38(44)40-30-41-39-16-6-10-20-45(39)56-46-28-25-32-12-3-4-14-37(32)47(46)48(51(40)55)52(41)56/h1-30H
• InChIKey: QXINGHIORJQSCG-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.84
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene?

The IUPAC name of 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene (CID 130259894) is 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene.

What is the SMILES notation for 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene?

The canonical SMILES for 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene is c1ccc2cc(-c3nc4ccccc4nc3-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccc9ccccc9c8c(c54)c67)cc3)ccc2c1.

What is the InChIKey of 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene?

The InChIKey is QXINGHIORJQSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4/c1-2-13-34-29-35(22-21-31(34)11-1)50-49(53-42-17-7-8-18-43(42)54-50)33-23-26-36(27-24-33)55-44-19-9-5-15-38(44)40-30-41-39-16-6-10-20-45(39)56-46-28-25-32-12-3-4-14-37(32)47(46)48(51(40)55)52(41)56/h1-30H.

What are the key properties of 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene?

28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene has a molecular weight of 710.84 g/mol, XLogP of 13.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 28-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene is sourced from PubChem (CID 130259894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).