10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene

C100H58N4O2 — CID 147339942

About 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene

10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene (PubChem CID 147339942) has the molecular formula C100H58N4O2 and a molecular weight of 1347.59 g/mol. Its IUPAC name is 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene.

Molecular Properties

• Compound Name: 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
• PubChem CID: 147339942
• Molecular Formula: C100H58N4O2
• Molecular Weight: 1347.59 g/mol
• Exact Mass: 1346.46
• IUPAC Name: 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
• SMILES: c1ccc(-n2c3ccc(-c4cccc5ccccc45)cc3c3c4oc5c(ccc6c5c5cc(-c7cccc8ccccc78)ccc5n6-c5cccc(-c6ccc7c8c9oc%10c(ccc%11c%10c%10ccccc%10n%11-c%10ccc%11ccccc%11c%10)c9ccc8n(-c8cccc9ccccc89)c7c6)c5)c4ccc32)cc1
• InChI: InChI=1S/C100H58N4O2/c1-2-27-68(28-3-1)101-86-48-40-66(73-34-15-23-60-19-6-9-30-71(60)73)56-82(86)95-89(101)51-45-78-79-46-52-90-96(100(79)106-99(78)95)83-57-67(74-35-16-24-61-20-7-10-31-72(61)74)41-49-87(83)102(90)69-29-14-26-64(55-69)65-39-43-81-92(58-65)104(84-37-17-25-62-21-8-11-32-75(62)84)91-53-47-77-76-44-50-88-93(97(76)105-98(77)94(81)91)80-33-12-13-36-85(80)103(88)70-42-38-59-18-4-5-22-63(59)54-70/h1-58H
• InChIKey: DDGVJDYIDGGNLJ-UHFFFAOYSA-N
• XLogP: 27.49
• TPSA: 46.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1347.59
LogP ≤ 5	27.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?

The IUPAC name of 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene (CID 147339942) is 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene.

What is the SMILES notation for 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?

The canonical SMILES for 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene is c1ccc(-n2c3ccc(-c4cccc5ccccc45)cc3c3c4oc5c(ccc6c5c5cc(-c7cccc8ccccc78)ccc5n6-c5cccc(-c6ccc7c8c9oc%10c(ccc%11c%10c%10ccccc%10n%11-c%10ccc%11ccccc%11c%10)c9ccc8n(-c8cccc9ccccc89)c7c6)c5)c4ccc32)cc1.

What is the InChIKey of 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?

The InChIKey is DDGVJDYIDGGNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H58N4O2/c1-2-27-68(28-3-1)101-86-48-40-66(73-34-15-23-60-19-6-9-30-71(60)73)56-82(86)95-89(101)51-45-78-79-46-52-90-96(100(79)106-99(78)95)83-57-67(74-35-16-24-61-20-7-10-31-72(61)74)41-49-87(83)102(90)69-29-14-26-64(55-69)65-39-43-81-92(58-65)104(84-37-17-25-62-21-8-11-32-75(62)84)91-53-47-77-76-44-50-88-93(97(76)105-98(77)94(81)91)80-33-12-13-36-85(80)103(88)70-42-38-59-18-4-5-22-63(59)54-70/h1-58H.

What are the key properties of 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?

10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene has a molecular weight of 1347.59 g/mol, XLogP of 27.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene is sourced from PubChem (CID 147339942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).