15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene

C146H96N8O3 — CID 158701075

About 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene

15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene (PubChem CID 158701075) has the molecular formula C146H96N8O3 and a molecular weight of 2010.43 g/mol. Its IUPAC name is 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene.

Molecular Properties

• Compound Name: 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene
• PubChem CID: 158701075
• Molecular Formula: C146H96N8O3
• Molecular Weight: 2010.43 g/mol
• Exact Mass: 2008.76
• IUPAC Name: 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene
• SMILES: CC1(C)c2cc3c4ccccc4n(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c3cc2-c2c1ccc1oc3ccccc3c21.CC1(C)c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c3cc2-c2c1ccc1oc3ccccc3c21.CC1(C)c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc2-c2c1ccc1oc3ccccc3c21
• InChI: InChI=1S/C51H33NO.C48H32N4O.C47H31N3O/c1-51(2)43-25-26-48-50(39-16-8-10-18-47(39)53-48)49(43)42-29-46-41(28-44(42)51)38-15-7-9-17-45(38)52(46)32-22-19-30(20-23-32)31-21-24-37-35-13-4-3-11-33(35)34-12-5-6-14-36(34)40(37)27-31;1-48(2)37-25-26-42-44(34-18-10-12-20-41(34)53-42)43(37)36-28-40-35(27-38(36)48)33-17-9-11-19-39(33)52(40)32-23-21-31(22-24-32)47-50-45(29-13-5-3-6-14-29)49-46(51-47)30-15-7-4-8-16-30;1-47(2)36-24-25-42-44(33-16-8-11-19-41(33)51-42)43(36)35-27-40-34(26-37(35)47)31-14-7-10-18-39(31)50(40)30-22-20-29(21-23-30)46-48-38-17-9-6-15-32(38)45(49-46)28-12-4-3-5-13-28/h3-29H,1-2H3;3-28H,1-2H3;3-27H,1-2H3
• InChIKey: IHOABGKEBGYKMF-UHFFFAOYSA-N
• XLogP: 38.56
• TPSA: 118.66 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2010.43
LogP ≤ 5	38.56
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 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene?

The IUPAC name of 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene (CID 158701075) is 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene.

What is the SMILES notation for 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene?

The canonical SMILES for 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene is CC1(C)c2cc3c4ccccc4n(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c3cc2-c2c1ccc1oc3ccccc3c21.CC1(C)c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c3cc2-c2c1ccc1oc3ccccc3c21.CC1(C)c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc2-c2c1ccc1oc3ccccc3c21.

What is the InChIKey of 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene?

The InChIKey is IHOABGKEBGYKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO.C48H32N4O.C47H31N3O/c1-51(2)43-25-26-48-50(39-16-8-10-18-47(39)53-48)49(43)42-29-46-41(28-44(42)51)38-15-7-9-17-45(38)52(46)32-22-19-30(20-23-32)31-21-24-37-35-13-4-3-11-33(35)34-12-5-6-14-36(34)40(37)27-31;1-48(2)37-25-26-42-44(34-18-10-12-20-41(34)53-42)43(37)36-28-40-35(27-38(36)48)33-17-9-11-19-39(33)52(40)32-23-21-31(22-24-32)47-50-45(29-13-5-3-6-14-29)49-46(51-47)30-15-7-4-8-16-30;1-47(2)36-24-25-42-44(33-16-8-11-19-41(33)51-42)43(36)35-27-40-34(26-37(35)47)31-14-7-10-18-39(31)50(40)30-22-20-29(21-23-30)46-48-38-17-9-6-15-32(38)45(49-46)28-12-4-3-5-13-28/h3-29H,1-2H3;3-28H,1-2H3;3-27H,1-2H3.

What are the key properties of 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene?

15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene has a molecular weight of 2010.43 g/mol, XLogP of 38.56, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15-dimethyl-25-[4-(4-phenylquinazolin-2-yl)phenyl]-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;15,15-dimethyl-25-(4-triphenylen-2-ylphenyl)-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-10-oxa-25-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene is sourced from PubChem (CID 158701075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).