18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene

C190H115N25 — CID 163647458

IUPAC18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene
SMILESc1ccc(-n2c3ccc4c(c5cnccc5c5nccn45)c3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5c6c7cnccc7c7nccn7c6ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3c5cnccc5c5nccn5c3ccc2n4-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c7cnccc7c7nccn7c6ccc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c7cnccc7c7nccn7c6ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/5C38H23N5/c1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)28-21-35-29(22-34(28)42)36-33(43(35)25-11-5-2-6-12-25)16-15-32-37(36)30-23-39-18-17-27(30)38-40-19-20-41(32)38;1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)28-21-29-35(22-34(28)42)43(25-11-5-2-6-12-25)33-16-15-32-37(36(29)33)30-23-39-18-17-27(30)38-40-19-20-41(32)38;1-3-9-24(10-4-1)42-29-14-8-7-13-27(29)34-31(42)17-18-33-36(34)37-32(43(33)25-11-5-2-6-12-25)16-15-30-35(37)28-23-39-20-19-26(28)38-40-21-22-41(30)38;1-3-9-24(10-4-1)42-32-18-17-31-34(29-23-39-20-19-28(29)38-40-21-22-41(31)38)35(32)36-33(42)16-15-27-26-13-7-8-14-30(26)43(37(27)36)25-11-5-2-6-12-25;1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)27-15-16-29-34-33(43(37(29)36(27)42)25-11-5-2-6-12-25)18-17-32-35(34)30-23-39-20-19-28(30)38-40-21-22-41(32)38/h5*1-23H
InChIKeyIJLUDRLKSQTIIM-UHFFFAOYSA-N
MW2748.18 g/mol
LogP46.15
Rot. Bonds10

About 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene

18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene (PubChem CID 163647458) has the molecular formula C190H115N25 and a molecular weight of 2748.18 g/mol. Its IUPAC name is 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene.

Molecular Properties

Compound Name18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene
PubChem CID163647458
Molecular FormulaC190H115N25
Molecular Weight2748.18 g/mol
Exact Mass2745.98
IUPAC Name18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene
SMILESc1ccc(-n2c3ccc4c(c5cnccc5c5nccn45)c3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5c6c7cnccc7c7nccn7c6ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3c5cnccc5c5nccn5c3ccc2n4-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c7cnccc7c7nccn7c6ccc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c7cnccc7c7nccn7c6ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/5C38H23N5/c1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)28-21-35-29(22-34(28)42)36-33(43(35)25-11-5-2-6-12-25)16-15-32-37(36)30-23-39-18-17-27(30)38-40-19-20-41(32)38;1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)28-21-29-35(22-34(28)42)43(25-11-5-2-6-12-25)33-16-15-32-37(36(29)33)30-23-39-18-17-27(30)38-40-19-20-41(32)38;1-3-9-24(10-4-1)42-29-14-8-7-13-27(29)34-31(42)17-18-33-36(34)37-32(43(33)25-11-5-2-6-12-25)16-15-30-35(37)28-23-39-20-19-26(28)38-40-21-22-41(30)38;1-3-9-24(10-4-1)42-32-18-17-31-34(29-23-39-20-19-28(29)38-40-21-22-41(31)38)35(32)36-33(42)16-15-27-26-13-7-8-14-30(26)43(37(27)36)25-11-5-2-6-12-25;1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)27-15-16-29-34-33(43(37(29)36(27)42)25-11-5-2-6-12-25)18-17-32-35(34)30-23-39-20-19-28(30)38-40-21-22-41(32)38/h5*1-23H
InChIKeyIJLUDRLKSQTIIM-UHFFFAOYSA-N
XLogP46.15
TPSA200.25 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002748.18
LogP ≤ 546.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-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 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene?
The IUPAC name of 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene (CID 163647458) is 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene.
What is the SMILES notation for 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene?
The canonical SMILES for 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene is c1ccc(-n2c3ccc4c(c5cnccc5c5nccn45)c3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5c6c7cnccc7c7nccn7c6ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3c5cnccc5c5nccn5c3ccc2n4-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c7cnccc7c7nccn7c6ccc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c7cnccc7c7nccn7c6ccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene?
The InChIKey is IJLUDRLKSQTIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/5C38H23N5/c1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)28-21-35-29(22-34(28)42)36-33(43(35)25-11-5-2-6-12-25)16-15-32-37(36)30-23-39-18-17-27(30)38-40-19-20-41(32)38;1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)28-21-29-35(22-34(28)42)43(25-11-5-2-6-12-25)33-16-15-32-37(36(29)33)30-23-39-18-17-27(30)38-40-19-20-41(32)38;1-3-9-24(10-4-1)42-29-14-8-7-13-27(29)34-31(42)17-18-33-36(34)37-32(43(33)25-11-5-2-6-12-25)16-15-30-35(37)28-23-39-20-19-26(28)38-40-21-22-41(30)38;1-3-9-24(10-4-1)42-32-18-17-31-34(29-23-39-20-19-28(29)38-40-21-22-41(31)38)35(32)36-33(42)16-15-27-26-13-7-8-14-30(26)43(37(27)36)25-11-5-2-6-12-25;1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)27-15-16-29-34-33(43(37(29)36(27)42)25-11-5-2-6-12-25)18-17-32-35(34)30-23-39-20-19-28(30)38-40-21-22-41(32)38/h5*1-23H.
What are the key properties of 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene?
18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene has a molecular weight of 2748.18 g/mol, XLogP of 46.15, 10 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 18,21-diphenyl-5,10,13,18,21-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20(28),22,24,26,29-tetradecaene;18,22-diphenyl-5,10,13,18,22-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-5,10,13,18,23-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-5,10,13,18,29-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22(30),23,25,27-tetradecaene is sourced from PubChem (CID 163647458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).