15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

C95H63N7O2 — CID 159873265

About 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (PubChem CID 159873265) has the molecular formula C95H63N7O2 and a molecular weight of 1334.60 g/mol. Its IUPAC name is 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
• PubChem CID: 159873265
• Molecular Formula: C95H63N7O2
• Molecular Weight: 1334.60 g/mol
• Exact Mass: 1333.50
• IUPAC Name: 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
• SMILES: CC1(C)c2ccc3c(oc4ccccc43)c2-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.CC1(C)c2ccc3c(oc4ccccc43)c2-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C48H32N4O.C47H31N3O/c1-48(2)36-27-28-39-41(42(36)43-37(48)26-25-34-33-17-10-12-20-40(33)53-44(34)43)35-18-9-11-19-38(35)52(39)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)35-26-27-39-41(42(35)43-36(47)25-24-32-31-14-8-11-19-40(31)51-45(32)43)34-16-7-10-18-38(34)50(39)30-22-20-29(21-23-30)46-48-37-17-9-6-15-33(37)44(49-46)28-12-4-3-5-13-28/h3-28H,1-2H3;3-27H,1-2H3
• InChIKey: NSORAQXYMVQYDS-UHFFFAOYSA-N
• XLogP: 24.44
• TPSA: 100.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1334.60
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The IUPAC name of 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (CID 159873265) is 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

What is the SMILES notation for 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The canonical SMILES for 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is CC1(C)c2ccc3c(oc4ccccc43)c2-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.CC1(C)c2ccc3c(oc4ccccc43)c2-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

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

What are the key properties of 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene has a molecular weight of 1334.60 g/mol, XLogP of 24.44, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 159873265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).