27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

C195H120N12O4 — CID 157389853

About 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (PubChem CID 157389853) has the molecular formula C195H120N12O4 and a molecular weight of 2695.18 g/mol. Its IUPAC name is 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
• PubChem CID: 157389853
• Molecular Formula: C195H120N12O4
• Molecular Weight: 2695.18 g/mol
• Exact Mass: 2692.96
• IUPAC Name: 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c(c6ccccc6n5-c5ccccc5)c5oc6ccccc6c5c43)cc21.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6oc7ccccc7c6c54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(c6ccccc6n5-c5ccccc5)c5oc6ccccc6c5c43)n2)cc1.c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4c(c5ccccc5n4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)c32)cc1
• InChI: InChI=1S/C52H32N4O.C52H30N2O.C46H28N4O.C45H30N2O/c1-4-17-33(18-5-1)41-32-42(54-52(53-41)34-19-6-2-7-20-34)35-21-16-24-37(31-35)56-43-28-13-10-25-38(43)46-49-47(51-48(50(46)56)40-27-12-15-30-45(40)57-51)39-26-11-14-29-44(39)55(49)36-22-8-3-9-23-36;1-2-13-32(14-3-1)53-44-23-10-7-18-41(44)48-50(53)47-40-17-6-9-22-43(40)54(51(47)49-42-19-8-11-24-45(42)55-52(48)49)33-27-25-31(26-28-33)34-29-30-39-36-16-5-4-15-35(36)38-21-12-20-37(34)46(38)39;1-4-16-29(17-5-1)35-28-36(30-18-6-2-7-19-30)48-46(47-35)50-38-26-14-10-22-32(38)40-43-41(45-42(44(40)50)34-24-12-15-27-39(34)51-45)33-23-11-13-25-37(33)49(43)31-20-8-3-9-21-31;1-45(2)34-20-10-6-16-29(34)30-25-24-28(26-35(30)45)47-36-21-11-7-17-31(36)39-42-40(44-41(43(39)47)33-19-9-13-23-38(33)48-44)32-18-8-12-22-37(32)46(42)27-14-4-3-5-15-27/h1-32H;1-30H;1-28H;3-26H,1-2H3
• InChIKey: BLWJMLPHLXKBHZ-UHFFFAOYSA-N
• XLogP: 51.81
• TPSA: 143.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2695.18
LogP ≤ 5	51.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

The IUPAC name of 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (CID 157389853) is 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.

What is the SMILES notation for 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

The canonical SMILES for 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c(c6ccccc6n5-c5ccccc5)c5oc6ccccc6c5c43)cc21.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6oc7ccccc7c6c54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(c6ccccc6n5-c5ccccc5)c5oc6ccccc6c5c43)n2)cc1.c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4c(c5ccccc5n4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)c32)cc1.

What is the InChIKey of 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

The InChIKey is BLWJMLPHLXKBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O.C52H30N2O.C46H28N4O.C45H30N2O/c1-4-17-33(18-5-1)41-32-42(54-52(53-41)34-19-6-2-7-20-34)35-21-16-24-37(31-35)56-43-28-13-10-25-38(43)46-49-47(51-48(50(46)56)40-27-12-15-30-45(40)57-51)39-26-11-14-29-44(39)55(49)36-22-8-3-9-23-36;1-2-13-32(14-3-1)53-44-23-10-7-18-41(44)48-50(53)47-40-17-6-9-22-43(40)54(51(47)49-42-19-8-11-24-45(42)55-52(48)49)33-27-25-31(26-28-33)34-29-30-39-36-16-5-4-15-35(36)38-21-12-20-37(34)46(38)39;1-4-16-29(17-5-1)35-28-36(30-18-6-2-7-19-30)48-46(47-35)50-38-26-14-10-22-32(38)40-43-41(45-42(44(40)50)34-24-12-15-27-39(34)51-45)33-23-11-13-25-37(33)49(43)31-20-8-3-9-21-31;1-45(2)34-20-10-6-16-29(34)30-25-24-28(26-35(30)45)47-36-21-11-7-17-31(36)39-42-40(44-41(43(39)47)33-19-9-13-23-38(33)48-44)32-18-8-12-22-37(32)46(42)27-14-4-3-5-15-27/h1-32H;1-30H;1-28H;3-26H,1-2H3.

What are the key properties of 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene has a molecular weight of 2695.18 g/mol, XLogP of 51.81, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 27-(9,9-dimethylfluoren-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-(4-fluoranthen-3-ylphenyl)-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is sourced from PubChem (CID 157389853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).