18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

C201H138N10 — CID 159139862

About 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 159139862) has the molecular formula C201H138N10 and a molecular weight of 2693.38 g/mol. Its IUPAC name is 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• PubChem CID: 159139862
• Molecular Formula: C201H138N10
• Molecular Weight: 2693.38 g/mol
• Exact Mass: 2691.11
• IUPAC Name: 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• SMILES: CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc1)c1c2c2ccccc2n1-c1ccccc1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc3c4c(cccc14)-c1ccccc1-3)c1c2c2ccccc2n1-c1ccccc1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1nc(-c3ccccc3)cc(-c3ccccc3)n1)c1c2c2ccccc2n1-c1ccccc1.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3c3c(c5c6ccccc6n(-c6ccccc6)c54)-c4ccccc4C3(C)C)cc21
• InChI: InChI=1S/C55H36N2.C49H34N4.C49H32N2.C48H36N2/c1-55(2)45-24-11-8-19-42(45)49-50-43-20-9-12-25-46(43)56(34-15-4-3-5-16-34)53(50)51-44-21-10-13-26-47(44)57(54(51)52(49)55)35-29-27-33(28-30-35)36-31-32-41-38-18-7-6-17-37(38)40-23-14-22-39(36)48(40)41;1-49(2)37-27-15-12-24-34(37)42-43-35-25-13-16-28-40(35)52(33-22-10-5-11-23-33)46(43)44-36-26-14-17-29-41(36)53(47(44)45(42)49)48-50-38(31-18-6-3-7-19-31)30-39(51-48)32-20-8-4-9-21-32;1-49(2)38-24-11-8-19-34(38)43-44-36-20-9-12-25-39(36)50(29-15-4-3-5-16-29)47(44)45-37-21-10-13-26-40(37)51(48(45)46(43)49)41-28-27-33-31-18-7-6-17-30(31)32-22-14-23-35(41)42(32)33;1-47(2)36-22-12-8-18-31(36)32-27-26-30(28-38(32)47)50-40-25-15-11-21-35(40)43-45-42(34-20-10-14-24-39(34)49(45)29-16-6-5-7-17-29)41-33-19-9-13-23-37(33)48(3,4)44(41)46(43)50/h3-32H,1-2H3;3-30H,1-2H3;3-28H,1-2H3;5-28H,1-4H3
• InChIKey: KHYRNLFZJPFCSC-UHFFFAOYSA-N
• XLogP: 52.45
• TPSA: 65.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2693.38
LogP ≤ 5	52.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The IUPAC name of 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 159139862) is 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

What is the SMILES notation for 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The canonical SMILES for 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc1)c1c2c2ccccc2n1-c1ccccc1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc3c4c(cccc14)-c1ccccc1-3)c1c2c2ccccc2n1-c1ccccc1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1nc(-c3ccccc3)cc(-c3ccccc3)n1)c1c2c2ccccc2n1-c1ccccc1.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3c3c(c5c6ccccc6n(-c6ccccc6)c54)-c4ccccc4C3(C)C)cc21.

What is the InChIKey of 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The InChIKey is KHYRNLFZJPFCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2.C49H34N4.C49H32N2.C48H36N2/c1-55(2)45-24-11-8-19-42(45)49-50-43-20-9-12-25-46(43)56(34-15-4-3-5-16-34)53(50)51-44-21-10-13-26-47(44)57(54(51)52(49)55)35-29-27-33(28-30-35)36-31-32-41-38-18-7-6-17-37(38)40-23-14-22-39(36)48(40)41;1-49(2)37-27-15-12-24-34(37)42-43-35-25-13-16-28-40(35)52(33-22-10-5-11-23-33)46(43)44-36-26-14-17-29-41(36)53(47(44)45(42)49)48-50-38(31-18-6-3-7-19-31)30-39(51-48)32-20-8-4-9-21-32;1-49(2)38-24-11-8-19-34(38)43-44-36-20-9-12-25-39(36)50(29-15-4-3-5-16-29)47(44)45-37-21-10-13-26-40(37)51(48(45)46(43)49)41-28-27-33-31-18-7-6-17-30(31)32-22-14-23-35(41)42(32)33;1-47(2)36-22-12-8-18-31(36)32-27-26-30(28-38(32)47)50-40-25-15-11-21-35(40)43-45-42(34-20-10-14-24-39(34)49(45)29-16-6-5-7-17-29)41-33-19-9-13-23-37(33)48(3,4)44(41)46(43)50/h3-32H,1-2H3;3-30H,1-2H3;3-28H,1-2H3;5-28H,1-4H3.

What are the key properties of 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene has a molecular weight of 2693.38 g/mol, XLogP of 52.45, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(9,9-dimethylfluoren-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 159139862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).