17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

C195H123N15 — CID 165046558

About 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 165046558) has the molecular formula C195H123N15 and a molecular weight of 2676.23 g/mol. Its IUPAC name is 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

• Compound Name: 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
• PubChem CID: 165046558
• Molecular Formula: C195H123N15
• Molecular Weight: 2676.23 g/mol
• Exact Mass: 2674.01
• IUPAC Name: 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-c6ccccc6)c6c7ccccc7c7ccccc7n6c5c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(-c6ccccc6)c6c7ccccc7c7ccccc7n6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-c6ccccc6)c6c7ccccc7c7ccccc7n6c5c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(-c5ccccc5)c5c6ccccc6c6ccccc6n5c4c3)nc3c4ccccc4c4ccccc4c23)cc1
• InChI: InChI=1S/C53H34N4.C48H29N3.2C47H30N4/c1-4-16-35(17-5-1)38-22-14-24-40(32-38)51-54-52(41-25-15-23-39(33-41)36-18-6-2-7-19-36)56-53(55-51)42-30-31-46-48(34-42)57-47-29-13-12-27-44(47)43-26-10-11-28-45(43)50(57)49(46)37-20-8-3-9-21-37;1-3-15-30(16-4-1)43-40-28-27-32(29-42(40)51-41-26-14-13-22-36(41)35-21-9-12-25-39(35)47(43)51)48-49-45(31-17-5-2-6-18-31)44-37-23-10-7-19-33(37)34-20-8-11-24-38(34)46(44)50-48;1-4-15-31(16-5-1)34-21-14-22-35(29-34)46-48-45(33-19-8-3-9-20-33)49-47(50-46)36-27-28-40-42(30-36)51-41-26-13-12-24-38(41)37-23-10-11-25-39(37)44(51)43(40)32-17-6-2-7-18-32;1-4-14-31(15-5-1)32-24-26-35(27-25-32)46-48-45(34-18-8-3-9-19-34)49-47(50-46)36-28-29-40-42(30-36)51-41-23-13-12-21-38(41)37-20-10-11-22-39(37)44(51)43(40)33-16-6-2-7-17-33/h1-34H;1-29H;2*1-30H
• InChIKey: OZQCYFYNCDILSI-UHFFFAOYSA-N
• XLogP: 50.07
• TPSA: 159.43 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2676.23
LogP ≤ 5	50.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The IUPAC name of 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (CID 165046558) is 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

What is the SMILES notation for 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The canonical SMILES for 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-c6ccccc6)c6c7ccccc7c7ccccc7n6c5c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(-c6ccccc6)c6c7ccccc7c7ccccc7n6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-c6ccccc6)c6c7ccccc7c7ccccc7n6c5c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(-c5ccccc5)c5c6ccccc6c6ccccc6n5c4c3)nc3c4ccccc4c4ccccc4c23)cc1.

What is the InChIKey of 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The InChIKey is OZQCYFYNCDILSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4.C48H29N3.2C47H30N4/c1-4-16-35(17-5-1)38-22-14-24-40(32-38)51-54-52(41-25-15-23-39(33-41)36-18-6-2-7-19-36)56-53(55-51)42-30-31-46-48(34-42)57-47-29-13-12-27-44(47)43-26-10-11-28-45(43)50(57)49(46)37-20-8-3-9-21-37;1-3-15-30(16-4-1)43-40-28-27-32(29-42(40)51-41-26-14-13-22-36(41)35-21-9-12-25-39(35)47(43)51)48-49-45(31-17-5-2-6-18-31)44-37-23-10-7-19-33(37)34-20-8-11-24-38(34)46(44)50-48;1-4-15-31(16-5-1)34-21-14-22-35(29-34)46-48-45(33-19-8-3-9-20-33)49-47(50-46)36-27-28-40-42(30-36)51-41-26-13-12-24-38(41)37-23-10-11-25-39(37)44(51)43(40)32-17-6-2-7-18-32;1-4-14-31(15-5-1)32-24-26-35(27-25-32)46-48-45(34-18-8-3-9-19-34)49-47(50-46)36-28-29-40-42(30-36)51-41-23-13-12-21-38(41)37-20-10-11-22-39(37)44(51)43(40)33-16-6-2-7-17-33/h1-34H;1-29H;2*1-30H.

What are the key properties of 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 2676.23 g/mol, XLogP of 50.07, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 165046558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).