17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene

C182H102N14S4 — CID 157426982

IUPAC17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene
SMILES[C-]#[N+]c1nc2c3cc4c(cc3c3c(ccc5c6ccccc6n(-c6ccccc6)c53)c2nc1[N+]#[C-])c1ccccc1n4-c1ccccc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3sc5ccccc5c3cc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ncccc2c2ccc3c5ccccc5sc3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ncccc2c2ccc3sc5ccccc5c3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc6c(cc5c5cccnc5c4cc32)sc2ccccc26)cc1
InChIInChI=1S/C42H22N6.4C35H20N2S/c1-43-41-42(44-2)46-39-33-24-36-31(28-18-10-11-19-34(28)47(36)25-13-5-3-6-14-25)23-32(33)37-30(38(39)45-41)22-21-29-27-17-9-12-20-35(27)48(40(29)37)26-15-7-4-8-16-26;1-2-9-21(10-3-1)37-29-14-6-4-11-22(29)26-19-27-28(20-30(26)37)35-24(13-8-18-36-35)23-16-17-32-34(33(23)27)25-12-5-7-15-31(25)38-32;1-2-9-21(10-3-1)37-30-14-6-4-11-22(30)27-19-28-29(20-31(27)37)34-25(13-8-18-36-34)24-16-17-26-23-12-5-7-15-32(23)38-35(26)33(24)28;1-2-9-21(10-3-1)37-31-14-6-4-11-22(31)28-17-26-25-18-29-23-12-5-7-15-33(23)38-34(29)20-27(25)24-13-8-16-36-35(24)30(26)19-32(28)37;1-2-9-21(10-3-1)37-31-14-6-4-11-22(31)28-18-30-26(19-32(28)37)27-20-34-29(23-12-5-7-15-33(23)38-34)17-25(27)24-13-8-16-36-35(24)30/h3-24H;4*1-20H
InChIKeyBQBNUEYFPQVIKX-UHFFFAOYSA-N
MW2613.18 g/mol
LogP51.26
Rot. Bonds6

About 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene

17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene (PubChem CID 157426982) has the molecular formula C182H102N14S4 and a molecular weight of 2613.18 g/mol. Its IUPAC name is 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene.

Molecular Properties

Compound Name17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene
PubChem CID157426982
Molecular FormulaC182H102N14S4
Molecular Weight2613.18 g/mol
Exact Mass2610.73
IUPAC Name17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene
SMILES[C-]#[N+]c1nc2c3cc4c(cc3c3c(ccc5c6ccccc6n(-c6ccccc6)c53)c2nc1[N+]#[C-])c1ccccc1n4-c1ccccc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3sc5ccccc5c3cc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ncccc2c2ccc3c5ccccc5sc3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ncccc2c2ccc3sc5ccccc5c3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc6c(cc5c5cccnc5c4cc32)sc2ccccc26)cc1
InChIInChI=1S/C42H22N6.4C35H20N2S/c1-43-41-42(44-2)46-39-33-24-36-31(28-18-10-11-19-34(28)47(36)25-13-5-3-6-14-25)23-32(33)37-30(38(39)45-41)22-21-29-27-17-9-12-20-35(27)48(40(29)37)26-15-7-4-8-16-26;1-2-9-21(10-3-1)37-29-14-6-4-11-22(29)26-19-27-28(20-30(26)37)35-24(13-8-18-36-35)23-16-17-32-34(33(23)27)25-12-5-7-15-31(25)38-32;1-2-9-21(10-3-1)37-30-14-6-4-11-22(30)27-19-28-29(20-31(27)37)34-25(13-8-18-36-34)24-16-17-26-23-12-5-7-15-32(23)38-35(26)33(24)28;1-2-9-21(10-3-1)37-31-14-6-4-11-22(31)28-17-26-25-18-29-23-12-5-7-15-33(23)38-34(29)20-27(25)24-13-8-16-36-35(24)30(26)19-32(28)37;1-2-9-21(10-3-1)37-31-14-6-4-11-22(31)28-18-30-26(19-32(28)37)27-20-34-29(23-12-5-7-15-33(23)38-34)17-25(27)24-13-8-16-36-35(24)30/h3-24H;4*1-20H
InChIKeyBQBNUEYFPQVIKX-UHFFFAOYSA-N
XLogP51.26
TPSA115.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms200
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002613.18
LogP ≤ 551.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene?
The IUPAC name of 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene (CID 157426982) is 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene.
What is the SMILES notation for 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene?
The canonical SMILES for 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene is [C-]#[N+]c1nc2c3cc4c(cc3c3c(ccc5c6ccccc6n(-c6ccccc6)c53)c2nc1[N+]#[C-])c1ccccc1n4-c1ccccc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3sc5ccccc5c3cc2c2cccnc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ncccc2c2ccc3c5ccccc5sc3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ncccc2c2ccc3sc5ccccc5c3c24)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc6c(cc5c5cccnc5c4cc32)sc2ccccc26)cc1.
What is the InChIKey of 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene?
The InChIKey is BQBNUEYFPQVIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H22N6.4C35H20N2S/c1-43-41-42(44-2)46-39-33-24-36-31(28-18-10-11-19-34(28)47(36)25-13-5-3-6-14-25)23-32(33)37-30(38(39)45-41)22-21-29-27-17-9-12-20-35(27)48(40(29)37)26-15-7-4-8-16-26;1-2-9-21(10-3-1)37-29-14-6-4-11-22(29)26-19-27-28(20-30(26)37)35-24(13-8-18-36-35)23-16-17-32-34(33(23)27)25-12-5-7-15-31(25)38-32;1-2-9-21(10-3-1)37-30-14-6-4-11-22(30)27-19-28-29(20-31(27)37)34-25(13-8-18-36-34)24-16-17-26-23-12-5-7-15-32(23)38-35(26)33(24)28;1-2-9-21(10-3-1)37-31-14-6-4-11-22(31)28-17-26-25-18-29-23-12-5-7-15-33(23)38-34(29)20-27(25)24-13-8-16-36-35(24)30(26)19-32(28)37;1-2-9-21(10-3-1)37-31-14-6-4-11-22(31)28-18-30-26(19-32(28)37)27-20-34-29(23-12-5-7-15-33(23)38-34)17-25(27)24-13-8-16-36-35(24)30/h3-24H;4*1-20H.
What are the key properties of 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene?
17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene has a molecular weight of 2613.18 g/mol, XLogP of 51.26, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 17,18-diisocyano-4,24-diphenyl-4,16,19,24-tetrazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1(21),2(14),3(11),5,7,9,12,15(20),16,18,22,25,27,29,31-pentadecaene;5-phenyl-30-thia-5,16-diazaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1,3,6,8,10,12,14,16,18,20,22,24,26,28,31-pentadecaene;11-phenyl-24-thia-11,16-diazaoctacyclo[19.11.0.02,14.04,12.05,10.015,20.023,31.025,30]dotriaconta-1,3,5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-4-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;24-phenyl-10-thia-19,24-diazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene is sourced from PubChem (CID 157426982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).