14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

C60H38N4 — CID 135165926

About 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 135165926) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
• PubChem CID: 135165926
• Molecular Formula: C60H38N4
• Molecular Weight: 814.99 g/mol
• Exact Mass: 814.31
• IUPAC Name: 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccc8ccccc8c7n(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6ccc54)nc4ccccc34)cc2)cc1
• InChI: InChI=1S/C60H38N4/c1-4-16-39(17-5-1)42-28-30-44(31-29-42)58-49-24-12-14-26-52(49)61-60(62-58)64-53-27-15-13-25-50(53)56-55(64)35-34-54-57(56)51-33-32-43-22-10-11-23-48(43)59(51)63(54)47-37-45(40-18-6-2-7-19-40)36-46(38-47)41-20-8-3-9-21-41/h1-38H
• InChIKey: MEGOMXBNABCIJG-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.99
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The IUPAC name of 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (CID 135165926) is 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

What is the SMILES notation for 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The canonical SMILES for 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccc8ccccc8c7n(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6ccc54)nc4ccccc34)cc2)cc1.

What is the InChIKey of 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The InChIKey is MEGOMXBNABCIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-4-16-39(17-5-1)42-28-30-44(31-29-42)58-49-24-12-14-26-52(49)61-60(62-58)64-53-27-15-13-25-50(53)56-55(64)35-34-54-57(56)51-33-32-43-22-10-11-23-48(43)59(51)63(54)47-37-45(40-18-6-2-7-19-40)36-46(38-47)41-20-8-3-9-21-41/h1-38H.

What are the key properties of 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene has a molecular weight of 814.99 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 135165926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).