15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

C181H113N13 — CID 159906970

About 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene (PubChem CID 159906970) has the molecular formula C181H113N13 and a molecular weight of 2469.99 g/mol. Its IUPAC name is 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene.

Molecular Properties

• Compound Name: 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
• PubChem CID: 159906970
• Molecular Formula: C181H113N13
• Molecular Weight: 2469.99 g/mol
• Exact Mass: 2467.92
• IUPAC Name: 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7c8ccccc8c8ccccc8c7n(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6ccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7c8ccccc8c8ccccc8c7n(-c7ccc(-c8ccccc8)cc7)c6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7c8ccccc8c8ccccc8c7n(-c7cccc(-c8ccccc8)c7)c6ccc54)nc4ccccc34)cc2)cc1
• InChI: InChI=1S/C65H41N5.2C58H36N4/c1-5-19-42(20-6-1)45-33-35-47(36-34-45)64-66-63(46-25-11-4-12-26-46)67-65(68-64)70-56-32-18-17-31-55(56)59-57(70)37-38-58-61(59)60-53-29-15-13-27-51(53)52-28-14-16-30-54(52)62(60)69(58)50-40-48(43-21-7-2-8-22-43)39-49(41-50)44-23-9-3-10-24-44;1-3-16-37(17-4-1)39-30-32-40(33-31-39)56-47-26-11-13-28-49(47)59-58(60-56)62-50-29-14-12-27-48(50)53-51(62)34-35-52-55(53)54-45-24-9-7-22-43(45)44-23-8-10-25-46(44)57(54)61(52)42-21-15-20-41(36-42)38-18-5-2-6-19-38;1-3-15-37(16-4-1)39-27-29-41(30-28-39)56-47-23-11-13-25-49(47)59-58(60-56)62-50-26-14-12-24-48(50)53-51(62)35-36-52-55(53)54-45-21-9-7-19-43(45)44-20-8-10-22-46(44)57(54)61(52)42-33-31-40(32-34-42)38-17-5-2-6-18-38/h1-41H;2*1-36H
• InChIKey: NWRVNJQSJNEWHI-UHFFFAOYSA-N
• XLogP: 46.97
• TPSA: 119.81 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2469.99
LogP ≤ 5	46.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?

The IUPAC name of 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene (CID 159906970) is 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene.

What is the SMILES notation for 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?

The canonical SMILES for 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7c8ccccc8c8ccccc8c7n(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6ccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7c8ccccc8c8ccccc8c7n(-c7ccc(-c8ccccc8)cc7)c6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7c8ccccc8c8ccccc8c7n(-c7cccc(-c8ccccc8)c7)c6ccc54)nc4ccccc34)cc2)cc1.

What is the InChIKey of 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?

The InChIKey is NWRVNJQSJNEWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N5.2C58H36N4/c1-5-19-42(20-6-1)45-33-35-47(36-34-45)64-66-63(46-25-11-4-12-26-46)67-65(68-64)70-56-32-18-17-31-55(56)59-57(70)37-38-58-61(59)60-53-29-15-13-27-51(53)52-28-14-16-30-54(52)62(60)69(58)50-40-48(43-21-7-2-8-22-43)39-49(41-50)44-23-9-3-10-24-44;1-3-16-37(17-4-1)39-30-32-40(33-31-39)56-47-26-11-13-28-49(47)59-58(60-56)62-50-29-14-12-27-48(50)53-51(62)34-35-52-55(53)54-45-24-9-7-22-43(45)44-23-8-10-25-46(44)57(54)61(52)42-21-15-20-41(36-42)38-18-5-2-6-19-38;1-3-15-37(16-4-1)39-27-29-41(30-28-39)56-47-23-11-13-25-49(47)59-58(60-56)62-50-26-14-12-24-48(50)53-51(62)35-36-52-55(53)54-45-21-9-7-19-43(45)44-20-8-10-22-46(44)57(54)61(52)42-33-31-40(32-34-42)38-17-5-2-6-18-38/h1-41H;2*1-36H.

What are the key properties of 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?

15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene has a molecular weight of 2469.99 g/mol, XLogP of 46.97, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 159906970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).