10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene

C96H54N6O2 — CID 154976988

About 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene

10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene (PubChem CID 154976988) has the molecular formula C96H54N6O2 and a molecular weight of 1323.53 g/mol. Its IUPAC name is 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene.

Molecular Properties

• Compound Name: 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene
• PubChem CID: 154976988
• Molecular Formula: C96H54N6O2
• Molecular Weight: 1323.53 g/mol
• Exact Mass: 1322.43
• IUPAC Name: 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5cc6oc7cc(-c8ccc9c%10c(cccc8%10)-c8ccc(-n%10c%11ccccc%11c%11c%12c%13cc%14c(cc%13n(-c%13ccccc%13)c%12ccc%11%10)oc%10ccccc%10%14)cc8-9)ccc7c6cc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)nc3ccccc23)cc1
• InChI: InChI=1S/C96H54N6O2/c1-4-20-55(21-5-1)95-69-29-10-14-34-77(69)97-96(98-95)57-22-18-27-60(48-57)102-83-47-44-80-91(70-30-11-15-35-78(70)99(80)58-23-6-2-7-24-58)94(83)76-52-74-65-40-38-56(49-87(65)104-89(74)54-85(76)102)62-42-43-68-72-50-61(39-41-63(72)67-33-19-32-66(62)90(67)68)101-79-36-16-12-31-71(79)92-81(101)45-46-82-93(92)75-51-73-64-28-13-17-37-86(64)103-88(73)53-84(75)100(82)59-25-8-3-9-26-59/h1-54H
• InChIKey: JBKPGADWOITDLS-UHFFFAOYSA-N
• XLogP: 25.62
• TPSA: 71.78 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1323.53
LogP ≤ 5	25.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene?

The IUPAC name of 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene (CID 154976988) is 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene.

What is the SMILES notation for 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene?

The canonical SMILES for 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene is c1ccc(-c2nc(-c3cccc(-n4c5cc6oc7cc(-c8ccc9c%10c(cccc8%10)-c8ccc(-n%10c%11ccccc%11c%11c%12c%13cc%14c(cc%13n(-c%13ccccc%13)c%12ccc%11%10)oc%10ccccc%10%14)cc8-9)ccc7c6cc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)nc3ccccc23)cc1.

What is the InChIKey of 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene?

The InChIKey is JBKPGADWOITDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N6O2/c1-4-20-55(21-5-1)95-69-29-10-14-34-77(69)97-96(98-95)57-22-18-27-60(48-57)102-83-47-44-80-91(70-30-11-15-35-78(70)99(80)58-23-6-2-7-24-58)94(83)76-52-74-65-40-38-56(49-87(65)104-89(74)54-85(76)102)62-42-43-68-72-50-61(39-41-63(72)67-33-19-32-66(62)90(67)68)101-79-36-16-12-31-71(79)92-81(101)45-46-82-93(92)75-51-73-64-28-13-17-37-86(64)103-88(73)53-84(75)100(82)59-25-8-3-9-26-59/h1-54H.

What are the key properties of 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene?

10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene has a molecular weight of 1323.53 g/mol, XLogP of 25.62, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene is sourced from PubChem (CID 154976988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).