28-[4-(4-naphthalen-2-ylquinazolin-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 138708924

About 28-[4-(4-naphthalen-2-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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 138708924) has the molecular formula C52H30N4 and a molecular weight of 710.84 g/mol. Its IUPAC name is 28-[4-(4-naphthalen-2-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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: 138708924
• Molecular Formula: C52H30N4
• Molecular Weight: 710.84 g/mol
• Exact Mass: 710.25
• IUPAC Name: 28-[4-(4-naphthalen-2-ylquinazolin-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(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n8c9ccc%10ccccc%10c9c(c65)c78)cc4)nc4ccccc34)ccc2c1
• InChI: InChI=1S/C52H30N4/c1-2-13-34-29-35(22-21-31(34)11-1)49-40-17-5-8-18-43(40)53-52(54-49)33-23-26-36(27-24-33)55-44-19-9-6-15-38(44)41-30-42-39-16-7-10-20-45(39)56-46-28-25-32-12-3-4-14-37(32)47(46)48(50(41)55)51(42)56/h1-30H
• InChIKey: XUDZQXUSLHFXQZ-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-(4-naphthalen-2-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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 138708924) is 28-[4-(4-naphthalen-2-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n8c9ccc%10ccccc%10c9c(c65)c78)cc4)nc4ccccc34)ccc2c1.

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

What are the key properties of 28-[4-(4-naphthalen-2-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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-(4-naphthalen-2-ylquinazolin-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 138708924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).