24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene

C148H89N11 — CID 157312215

About 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene

24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene (PubChem CID 157312215) has the molecular formula C148H89N11 and a molecular weight of 2021.42 g/mol. Its IUPAC name is 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene.

Molecular Properties

• Compound Name: 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene
• PubChem CID: 157312215
• Molecular Formula: C148H89N11
• Molecular Weight: 2021.42 g/mol
• Exact Mass: 2019.73
• IUPAC Name: 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene
• SMILES: c1ccc(-c2nc(-c3ccc(-n4cc5c6c(cccc64)-c4c(c6ccccc6c6ccccc46)-c4ccccc4-5)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4cc5c6c(cccc64)-c4c(c6ccccc6c6ccccc46)-c4ccccc4-5)c4ccccc34)n2)cc1.c1ccc(-c2nc(-n3cc4c5c(cccc53)-c3c(c5ccccc5c5ccccc35)-c3ccccc3-4)nc3ccccc23)cc1
• InChI: InChI=1S/2C53H32N4.C42H25N3/c1-3-16-33(17-4-1)51-54-52(34-18-5-2-6-19-34)56-53(55-51)43-30-31-46(39-24-11-7-22-37(39)43)57-32-45-38-23-10-14-27-42(38)49-40-25-12-8-20-35(40)36-21-9-13-26-41(36)50(49)44-28-15-29-47(57)48(44)45;1-2-14-34(15-3-1)51-54-52(56-53(55-51)37-26-25-33-13-4-5-16-36(33)31-37)35-27-29-38(30-28-35)57-32-46-41-19-8-11-22-44(41)49-42-20-9-6-17-39(42)40-18-7-10-21-43(40)50(49)45-23-12-24-47(57)48(45)46;1-2-13-26(14-3-1)41-33-21-10-11-23-36(33)43-42(44-41)45-25-35-29-17-6-9-20-32(29)39-30-18-7-4-15-27(30)28-16-5-8-19-31(28)40(39)34-22-12-24-37(45)38(34)35/h2*1-32H;1-25H
• InChIKey: BDDZRHWEKTVART-UHFFFAOYSA-N
• XLogP: 38.04
• TPSA: 117.91 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2021.42
LogP ≤ 5	38.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

The IUPAC name of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene (CID 157312215) is 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene.

What is the SMILES notation for 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

The canonical SMILES for 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene is c1ccc(-c2nc(-c3ccc(-n4cc5c6c(cccc64)-c4c(c6ccccc6c6ccccc46)-c4ccccc4-5)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4cc5c6c(cccc64)-c4c(c6ccccc6c6ccccc46)-c4ccccc4-5)c4ccccc34)n2)cc1.c1ccc(-c2nc(-n3cc4c5c(cccc53)-c3c(c5ccccc5c5ccccc35)-c3ccccc3-4)nc3ccccc23)cc1.

What is the InChIKey of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

The InChIKey is BDDZRHWEKTVART-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H32N4.C42H25N3/c1-3-16-33(17-4-1)51-54-52(34-18-5-2-6-19-34)56-53(55-51)43-30-31-46(39-24-11-7-22-37(39)43)57-32-45-38-23-10-14-27-42(38)49-40-25-12-8-20-35(40)36-21-9-13-26-41(36)50(49)44-28-15-29-47(57)48(44)45;1-2-14-34(15-3-1)51-54-52(56-53(55-51)37-26-25-33-13-4-5-16-36(33)31-37)35-27-29-38(30-28-35)57-32-46-41-19-8-11-22-44(41)49-42-20-9-6-17-39(42)40-18-7-10-21-43(40)50(49)45-23-12-24-47(57)48(45)46;1-2-13-26(14-3-1)41-33-21-10-11-23-36(33)43-42(44-41)45-25-35-29-17-6-9-20-32(29)39-30-18-7-4-15-27(30)28-16-5-8-19-31(28)40(39)34-22-12-24-37(45)38(34)35/h2*1-32H;1-25H.

What are the key properties of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene has a molecular weight of 2021.42 g/mol, XLogP of 38.04, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(4-phenylquinazolin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene is sourced from PubChem (CID 157312215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).