9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

C155H98N10 — CID 157119883

About 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 157119883) has the molecular formula C155H98N10 and a molecular weight of 2100.56 g/mol. Its IUPAC name is 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 157119883
• Molecular Formula: C155H98N10
• Molecular Weight: 2100.56 g/mol
• Exact Mass: 2098.80
• IUPAC Name: 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)n3)cc2)cc1
• InChI: InChI=1S/2C52H33N3.C51H32N4/c1-4-16-34(17-5-1)35-28-30-37(31-29-35)47-33-46(36-18-6-2-7-19-36)53-52(54-47)45-32-44-40-23-11-13-25-42(40)51-50(49(44)41-24-12-10-22-39(41)45)43-26-14-15-27-48(43)55(51)38-20-8-3-9-21-38;1-4-16-34(17-5-1)35-28-30-37(31-29-35)52-53-46(36-18-6-2-7-19-36)33-47(54-52)44-32-45-40-23-11-13-25-42(40)51-50(49(45)41-24-12-10-22-39(41)44)43-26-14-15-27-48(43)55(51)38-20-8-3-9-21-38;1-4-16-33(17-5-1)34-28-30-36(31-29-34)50-52-49(35-18-6-2-7-19-35)53-51(54-50)44-32-43-39-23-11-13-25-41(39)48-47(46(43)40-24-12-10-22-38(40)44)42-26-14-15-27-45(42)55(48)37-20-8-3-9-21-37/h2*1-33H;1-32H
• InChIKey: AHVOZGIBQZZCNG-UHFFFAOYSA-N
• XLogP: 40.50
• TPSA: 105.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2100.56
LogP ≤ 5	40.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (CID 157119883) is 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)n3)cc2)cc1.

What is the InChIKey of 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The InChIKey is AHVOZGIBQZZCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N3.C51H32N4/c1-4-16-34(17-5-1)35-28-30-37(31-29-35)47-33-46(36-18-6-2-7-19-36)53-52(54-47)45-32-44-40-23-11-13-25-42(40)51-50(49(44)41-24-12-10-22-39(41)45)43-26-14-15-27-48(43)55(51)38-20-8-3-9-21-38;1-4-16-34(17-5-1)35-28-30-37(31-29-35)52-53-46(36-18-6-2-7-19-36)33-47(54-52)44-32-45-40-23-11-13-25-42(40)51-50(49(45)41-24-12-10-22-39(41)44)43-26-14-15-27-48(43)55(51)38-20-8-3-9-21-38;1-4-16-33(17-5-1)34-28-30-36(31-29-34)50-52-49(35-18-6-2-7-19-35)53-51(54-50)44-32-43-39-23-11-13-25-41(39)48-47(46(43)40-24-12-10-22-38(40)44)42-26-14-15-27-45(42)55(48)37-20-8-3-9-21-37/h2*1-33H;1-32H.

What are the key properties of 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 2100.56 g/mol, XLogP of 40.50, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-phenyl-19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 157119883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).