4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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

C213H143N21 — CID 157338334

IUPAC4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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
SMILESCC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(C#N)cc5)n4)cc3)c21.CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21.CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(C#N)cc4)n3)c21
InChIInChI=1S/C55H36N6.C55H38N4.C54H37N5.C49H32N6/c1-55(2)43-22-12-9-19-40(43)46-49(55)47-41-20-10-13-23-44(41)60(38-17-7-4-8-18-38)51(47)48-42-21-11-14-24-45(42)61(50(46)48)39-31-29-37(30-32-39)54-58-52(35-15-5-3-6-16-35)57-53(59-54)36-27-25-34(33-56)26-28-36;1-55(2)43-27-15-12-24-40(43)48-51(55)49-41-25-13-16-28-46(41)58(38-22-10-5-11-23-38)53(49)50-42-26-14-17-29-47(42)59(52(48)50)39-32-30-36(31-33-39)45-34-44(35-18-6-3-7-19-35)56-54(57-45)37-20-8-4-9-21-37;1-54(2)41-30-16-12-26-37(41)45-48(54)46-38-27-13-17-31-42(38)58(36-24-10-5-11-25-36)49(46)47-39-28-14-18-32-43(39)59(50(45)47)44-33-19-15-29-40(44)53-56-51(34-20-6-3-7-21-34)55-52(57-53)35-22-8-4-9-23-35;1-49(2)37-22-12-9-19-34(37)40-43(49)41-35-20-10-13-23-38(35)54(33-17-7-4-8-18-33)44(41)42-36-21-11-14-24-39(36)55(45(40)42)48-52-46(31-15-5-3-6-16-31)51-47(53-48)32-27-25-30(29-50)26-28-32/h3-32H,1-2H3;3-34H,1-2H3;3-33H,1-2H3;3-28H,1-2H3
InChIKeyBGCHBVFIALYOJF-UHFFFAOYSA-N
MW2996.63 g/mol
LogP52.17
Rot. Bonds19

About 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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

4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 157338334) has the molecular formula C213H143N21 and a molecular weight of 2996.63 g/mol. Its IUPAC name is 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 Name4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 CID157338334
Molecular FormulaC213H143N21
Molecular Weight2996.63 g/mol
Exact Mass2994.18
IUPAC Name4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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
SMILESCC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(C#N)cc5)n4)cc3)c21.CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21.CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(C#N)cc4)n3)c21
InChIInChI=1S/C55H36N6.C55H38N4.C54H37N5.C49H32N6/c1-55(2)43-22-12-9-19-40(43)46-49(55)47-41-20-10-13-23-44(41)60(38-17-7-4-8-18-38)51(47)48-42-21-11-14-24-45(42)61(50(46)48)39-31-29-37(30-32-39)54-58-52(35-15-5-3-6-16-35)57-53(59-54)36-27-25-34(33-56)26-28-36;1-55(2)43-27-15-12-24-40(43)48-51(55)49-41-25-13-16-28-46(41)58(38-22-10-5-11-23-38)53(49)50-42-26-14-17-29-47(42)59(52(48)50)39-32-30-36(31-33-39)45-34-44(35-18-6-3-7-19-35)56-54(57-45)37-20-8-4-9-21-37;1-54(2)41-30-16-12-26-37(41)45-48(54)46-38-27-13-17-31-42(38)58(36-24-10-5-11-25-36)49(46)47-39-28-14-18-32-43(39)59(50(45)47)44-33-19-15-29-40(44)53-56-51(34-20-6-3-7-21-34)55-52(57-53)35-22-8-4-9-23-35;1-49(2)37-22-12-9-19-34(37)40-43(49)41-35-20-10-13-23-38(35)54(33-17-7-4-8-18-33)44(41)42-36-21-11-14-24-39(36)55(45(40)42)48-52-46(31-15-5-3-6-16-31)51-47(53-48)32-27-25-30(29-50)26-28-32/h3-32H,1-2H3;3-34H,1-2H3;3-33H,1-2H3;3-28H,1-2H3
InChIKeyBGCHBVFIALYOJF-UHFFFAOYSA-N
XLogP52.17
TPSA228.81 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms234
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002996.63
LogP ≤ 552.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 157338334) is 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(C#N)cc5)n4)cc3)c21.CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21.CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(C#N)cc4)n3)c21.
What is the InChIKey of 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 BGCHBVFIALYOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6.C55H38N4.C54H37N5.C49H32N6/c1-55(2)43-22-12-9-19-40(43)46-49(55)47-41-20-10-13-23-44(41)60(38-17-7-4-8-18-38)51(47)48-42-21-11-14-24-45(42)61(50(46)48)39-31-29-37(30-32-39)54-58-52(35-15-5-3-6-16-35)57-53(59-54)36-27-25-34(33-56)26-28-36;1-55(2)43-27-15-12-24-40(43)48-51(55)49-41-25-13-16-28-46(41)58(38-22-10-5-11-23-38)53(49)50-42-26-14-17-29-47(42)59(52(48)50)39-32-30-36(31-33-39)45-34-44(35-18-6-3-7-19-35)56-54(57-45)37-20-8-4-9-21-37;1-54(2)41-30-16-12-26-37(41)45-48(54)46-38-27-13-17-31-42(38)58(36-24-10-5-11-25-36)49(46)47-39-28-14-18-32-43(39)59(50(45)47)44-33-19-15-29-40(44)53-56-51(34-20-6-3-7-21-34)55-52(57-53)35-22-8-4-9-23-35;1-49(2)37-22-12-9-19-34(37)40-43(49)41-35-20-10-13-23-38(35)54(33-17-7-4-8-18-33)44(41)42-36-21-11-14-24-39(36)55(45(40)42)48-52-46(31-15-5-3-6-16-31)51-47(53-48)32-27-25-30(29-50)26-28-32/h3-32H,1-2H3;3-34H,1-2H3;3-33H,1-2H3;3-28H,1-2H3.
What are the key properties of 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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?
4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 2996.63 g/mol, XLogP of 52.17, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-(27,27-dimethyl-9-phenyl-9,18-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-dodecaen-18-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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;18-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27,27-dimethyl-9-phenyl-9,18-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 157338334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).