18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene

C116H61N5O7 — CID 134233130

About 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene

18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene (PubChem CID 134233130) has the molecular formula C116H61N5O7 and a molecular weight of 1636.79 g/mol. Its IUPAC name is 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene.

Molecular Properties

• Compound Name: 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene
• PubChem CID: 134233130
• Molecular Formula: C116H61N5O7
• Molecular Weight: 1636.79 g/mol
• Exact Mass: 1635.46
• IUPAC Name: 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene
• SMILES: c1ccc(-c2ccc(-n3c4cc(-c5ccc6oc7c(c6c5)c5c6ccccc6oc5c5c6ccc(-c8ccc9oc%10c(c9c8)c8c9ccccc9oc8c8c9ccccc9n(-c9ccc(-c%11nc(-c%12ccccc%12)c%12ccccc%12n%11)cc9)c%108)cc6n(-c6ccc8oc9ccccc9c8c6)c75)ccc4c4c5oc6ccccc6c5c5c6ccccc6oc5c43)cc2)cc1
• InChI: InChI=1S/C116H61N5O7/c1-3-21-62(22-4-1)63-39-47-71(48-40-63)120-87-59-68(43-52-76(87)104-108(120)113-100(81-31-13-20-38-93(81)126-113)97-78-28-10-17-35-90(78)123-110(97)104)66-45-55-96-84(57-66)102-99-80-30-12-19-37-92(80)125-112(99)105-77-53-44-69(60-88(77)121(109(105)115(102)128-96)72-51-56-94-82(61-72)73-25-9-16-34-89(73)122-94)67-46-54-95-83(58-67)101-98-79-29-11-18-36-91(79)124-111(98)103-75-27-8-15-33-86(75)119(107(103)114(101)127-95)70-49-41-65(42-50-70)116-117-85-32-14-7-26-74(85)106(118-116)64-23-5-2-6-24-64/h1-61H
• InChIKey: CZWAXZMUGFVQJM-UHFFFAOYSA-N
• XLogP: 32.55
• TPSA: 132.55 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.79
LogP ≤ 5	32.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene?

The IUPAC name of 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene (CID 134233130) is 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene.

What is the SMILES notation for 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene?

The canonical SMILES for 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene is c1ccc(-c2ccc(-n3c4cc(-c5ccc6oc7c(c6c5)c5c6ccccc6oc5c5c6ccc(-c8ccc9oc%10c(c9c8)c8c9ccccc9oc8c8c9ccccc9n(-c9ccc(-c%11nc(-c%12ccccc%12)c%12ccccc%12n%11)cc9)c%108)cc6n(-c6ccc8oc9ccccc9c8c6)c75)ccc4c4c5oc6ccccc6c5c5c6ccccc6oc5c43)cc2)cc1.

What is the InChIKey of 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene?

The InChIKey is CZWAXZMUGFVQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H61N5O7/c1-3-21-62(22-4-1)63-39-47-71(48-40-63)120-87-59-68(43-52-76(87)104-108(120)113-100(81-31-13-20-38-93(81)126-113)97-78-28-10-17-35-90(78)123-110(97)104)66-45-55-96-84(57-66)102-99-80-30-12-19-37-92(80)125-112(99)105-77-53-44-69(60-88(77)121(109(105)115(102)128-96)72-51-56-94-82(61-72)73-25-9-16-34-89(73)122-94)67-46-54-95-83(58-67)101-98-79-29-11-18-36-91(79)124-111(98)103-75-27-8-15-33-86(75)119(107(103)114(101)127-95)70-49-41-65(42-50-70)116-117-85-32-14-7-26-74(85)106(118-116)64-23-5-2-6-24-64/h1-61H.

What are the key properties of 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene?

18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene has a molecular weight of 1636.79 g/mol, XLogP of 32.55, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 18-dibenzofuran-2-yl-25-[18-(4-phenylphenyl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl]-15-[18-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22(27),23,25-dodecaen-25-yl]-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene is sourced from PubChem (CID 134233130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).