18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene

C152H91N15S2 — CID 163654742

IUPAC18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3c3ccc5c(c6ccccc6n5-c5ccccc5)c3c3c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5sc6ccccc6c5c5c(ccc6c5c5ccccc5n6-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c3c3ccc5sc6ccccc6c5c3c3c5ccccc5n(-c5ccccc5)c34)nc3ccccc23)cc1
InChIInChI=1S/C55H34N6.C49H29N5S.C48H28N4S/c1-5-19-35(20-6-1)53-56-54(36-21-7-2-8-22-36)58-55(57-53)61-45-32-18-15-29-41(45)50-51(61)42-33-34-46-47(39-27-13-16-30-43(39)59(46)37-23-9-3-10-24-37)48(42)49-40-28-14-17-31-44(40)60(52(49)50)38-25-11-4-12-26-38;1-4-16-30(17-5-1)47-50-48(31-18-6-2-7-19-31)52-49(51-47)54-38-26-14-11-23-34(38)44-45(54)36-28-29-39-41(42(36)43-35-24-12-15-27-40(35)55-46(43)44)33-22-10-13-25-37(33)53(39)32-20-8-3-9-21-32;1-3-15-29(16-4-1)45-31-19-7-11-23-36(31)49-48(50-45)52-38-25-13-9-21-33(38)44-46(52)35-27-28-40-41(34-22-10-14-26-39(34)53-40)42(35)43-32-20-8-12-24-37(32)51(47(43)44)30-17-5-2-6-18-30/h1-34H;1-29H;1-28H
InChIKeyIPFKFNQPYBCMMH-UHFFFAOYSA-N
MW2191.64 g/mol
LogP39.58
Rot. Bonds12

About 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene

18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene (PubChem CID 163654742) has the molecular formula C152H91N15S2 and a molecular weight of 2191.64 g/mol. Its IUPAC name is 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene.

Molecular Properties

Compound Name18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene
PubChem CID163654742
Molecular FormulaC152H91N15S2
Molecular Weight2191.64 g/mol
Exact Mass2189.70
IUPAC Name18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3c3ccc5c(c6ccccc6n5-c5ccccc5)c3c3c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5sc6ccccc6c5c5c(ccc6c5c5ccccc5n6-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c3c3ccc5sc6ccccc6c5c3c3c5ccccc5n(-c5ccccc5)c34)nc3ccccc23)cc1
InChIInChI=1S/C55H34N6.C49H29N5S.C48H28N4S/c1-5-19-35(20-6-1)53-56-54(36-21-7-2-8-22-36)58-55(57-53)61-45-32-18-15-29-41(45)50-51(61)42-33-34-46-47(39-27-13-16-30-43(39)59(46)37-23-9-3-10-24-37)48(42)49-40-28-14-17-31-44(40)60(52(49)50)38-25-11-4-12-26-38;1-4-16-30(17-5-1)47-50-48(31-18-6-2-7-19-31)52-49(51-47)54-38-26-14-11-23-34(38)44-45(54)36-28-29-39-41(42(36)43-35-24-12-15-27-40(35)55-46(43)44)33-22-10-13-25-37(33)53(39)32-20-8-3-9-21-32;1-3-15-29(16-4-1)45-31-19-7-11-23-36(31)49-48(50-45)52-38-25-13-9-21-33(38)44-46(52)35-27-28-40-41(34-22-10-14-26-39(34)53-40)42(35)43-32-20-8-12-24-37(32)51(47(43)44)30-17-5-2-6-18-30/h1-34H;1-29H;1-28H
InChIKeyIPFKFNQPYBCMMH-UHFFFAOYSA-N
XLogP39.58
TPSA137.63 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002191.64
LogP ≤ 539.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene?
The IUPAC name of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene (CID 163654742) is 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene.
What is the SMILES notation for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene?
The canonical SMILES for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3c3ccc5c(c6ccccc6n5-c5ccccc5)c3c3c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5sc6ccccc6c5c5c(ccc6c5c5ccccc5n6-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c3c3ccc5sc6ccccc6c5c3c3c5ccccc5n(-c5ccccc5)c34)nc3ccccc23)cc1.
What is the InChIKey of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene?
The InChIKey is IPFKFNQPYBCMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N6.C49H29N5S.C48H28N4S/c1-5-19-35(20-6-1)53-56-54(36-21-7-2-8-22-36)58-55(57-53)61-45-32-18-15-29-41(45)50-51(61)42-33-34-46-47(39-27-13-16-30-43(39)59(46)37-23-9-3-10-24-37)48(42)49-40-28-14-17-31-44(40)60(52(49)50)38-25-11-4-12-26-38;1-4-16-30(17-5-1)47-50-48(31-18-6-2-7-19-31)52-49(51-47)54-38-26-14-11-23-34(38)44-45(54)36-28-29-39-41(42(36)43-35-24-12-15-27-40(35)55-46(43)44)33-22-10-13-25-37(33)53(39)32-20-8-3-9-21-32;1-3-15-29(16-4-1)45-31-19-7-11-23-36(31)49-48(50-45)52-38-25-13-9-21-33(38)44-46(52)35-27-28-40-41(34-22-10-14-26-39(34)53-40)42(35)43-32-20-8-12-24-37(32)51(47(43)44)30-17-5-2-6-18-30/h1-34H;1-29H;1-28H.
What are the key properties of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene?
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene has a molecular weight of 2191.64 g/mol, XLogP of 39.58, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,24-diphenyl-9,18,24-triazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-9-thia-18,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;9-phenyl-18-(4-phenylquinazolin-2-yl)-24-thia-9,18-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene is sourced from PubChem (CID 163654742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).