13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene

C48H30N4 — CID 134404183

About 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene

13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene (PubChem CID 134404183) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
• PubChem CID: 134404183
• Molecular Formula: C48H30N4
• Molecular Weight: 662.80 g/mol
• Exact Mass: 662.25
• IUPAC Name: 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
• SMILES: c1ccc(-c2cccc(C3=NC(n4c5cc6c7ccccc7n7c8ccccc8c(c5c5ccc8ccccc8c54)c67)c4ccccc4N3)c2)cc1
• InChI: InChI=1S/C48H30N4/c1-2-13-29(14-3-1)31-16-12-17-32(27-31)47-49-39-22-9-6-20-35(39)48(50-47)52-42-28-38-34-19-7-10-23-40(34)51-41-24-11-8-21-36(41)44(46(38)51)43(42)37-26-25-30-15-4-5-18-33(30)45(37)52/h1-28,48H,(H,49,50)
• InChIKey: SFEIIKHKLHNXCA-UHFFFAOYSA-N
• XLogP: 12.18
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.80
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?

The IUPAC name of 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene (CID 134404183) is 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene.

What is the SMILES notation for 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?

The canonical SMILES for 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene is c1ccc(-c2cccc(C3=NC(n4c5cc6c7ccccc7n7c8ccccc8c(c5c5ccc8ccccc8c54)c67)c4ccccc4N3)c2)cc1.

What is the InChIKey of 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?

The InChIKey is SFEIIKHKLHNXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-13-29(14-3-1)31-16-12-17-32(27-31)47-49-39-22-9-6-20-35(39)48(50-47)52-42-28-38-34-19-7-10-23-40(34)51-41-24-11-8-21-36(41)44(46(38)51)43(42)37-26-25-30-15-4-5-18-33(30)45(37)52/h1-28,48H,(H,49,50).

What are the key properties of 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?

13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene has a molecular weight of 662.80 g/mol, XLogP of 12.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[2-(3-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 134404183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).