14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

C120H101Br9N36O18 — CID 160591749

IUPAC14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
SMILESBrc1nc2n(c1Br)c1nc(Br)c(Br)n1c1nc(Br)c(Br)n21.CC(N=C=O)c1nc2n3c(C(=O)N(C)C)c(C(=O)N(C)C)nc3n3c(C(=O)N(C)C)c(C(=O)N(C)C)nc3n2c1C(C)N=C=O.CCOC(=O)c1nc2n(c1C(=O)OCC)c1nc(C(=O)OCC)c(C(=O)OCC)n1c1nc(C(=O)OCC)c(C(=O)OCC)n21.Cc1nc2n(c1Br)c1nc(C)c(Br)n1c1nc(C)c(Br)n21.c1ccc(-c2nc3n(c2-c2ccccc2)c2nc(-c4ccccc4)c(-c4ccccc4)n2c2nc(-c4ccccc4)c(-c4ccccc4)n32)cc1
InChIInChI=1S/C45H30N6.C27H32N12O6.C27H30N6O12.C12H9Br3N6.C9Br6N6/c1-7-19-31(20-8-1)37-40(34-25-13-4-14-26-34)49-43(46-37)50-41(35-27-15-5-16-28-35)38(32-21-9-2-10-22-32)48-45(50)51-42(36-29-17-6-18-30-36)39(47-44(49)51)33-23-11-3-12-24-33;1-13(28-11-40)15-18(14(2)29-12-41)37-25(30-15)38-19(23(44)35(7)8)17(22(43)34(5)6)32-27(38)39-20(24(45)36(9)10)16(31-26(37)39)21(42)33(3)4;1-7-40-19(34)13-16(22(37)43-10-4)31-25(28-13)32-17(23(38)44-11-5)14(20(35)41-8-2)30-27(32)33-18(24(39)45-12-6)15(29-26(31)33)21(36)42-9-3;1-4-7(13)19-10(16-4)20-8(14)5(2)18-12(20)21-9(15)6(3)17-11(19)21;10-1-4(13)19-7(16-1)20-5(14)2(11)18-9(20)21-6(15)3(12)17-8(19)21/h1-30H;13-14H,1-10H3;7-12H2,1-6H3;1-3H3;
InChIKeyRDCQSQDCAMYERX-UHFFFAOYSA-N
MW3054.50 g/mol
LogP21.60
Rot. Bonds26

About 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (PubChem CID 160591749) has the molecular formula C120H101Br9N36O18 and a molecular weight of 3054.50 g/mol. Its IUPAC name is 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.

Molecular Properties

Compound Name14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
PubChem CID160591749
Molecular FormulaC120H101Br9N36O18
Molecular Weight3054.50 g/mol
Exact Mass3044.07
IUPAC Name14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
SMILESBrc1nc2n(c1Br)c1nc(Br)c(Br)n1c1nc(Br)c(Br)n21.CC(N=C=O)c1nc2n3c(C(=O)N(C)C)c(C(=O)N(C)C)nc3n3c(C(=O)N(C)C)c(C(=O)N(C)C)nc3n2c1C(C)N=C=O.CCOC(=O)c1nc2n(c1C(=O)OCC)c1nc(C(=O)OCC)c(C(=O)OCC)n1c1nc(C(=O)OCC)c(C(=O)OCC)n21.Cc1nc2n(c1Br)c1nc(C)c(Br)n1c1nc(C)c(Br)n21.c1ccc(-c2nc3n(c2-c2ccccc2)c2nc(-c4ccccc4)c(-c4ccccc4)n2c2nc(-c4ccccc4)c(-c4ccccc4)n32)cc1
InChIInChI=1S/C45H30N6.C27H32N12O6.C27H30N6O12.C12H9Br3N6.C9Br6N6/c1-7-19-31(20-8-1)37-40(34-25-13-4-14-26-34)49-43(46-37)50-41(35-27-15-5-16-28-35)38(32-21-9-2-10-22-32)48-45(50)51-42(36-29-17-6-18-30-36)39(47-44(49)51)33-23-11-3-12-24-33;1-13(28-11-40)15-18(14(2)29-12-41)37-25(30-15)38-19(23(44)35(7)8)17(22(43)34(5)6)32-27(38)39-20(24(45)36(9)10)16(31-26(37)39)21(42)33(3)4;1-7-40-19(34)13-16(22(37)43-10-4)31-25(28-13)32-17(23(38)44-11-5)14(20(35)41-8-2)30-27(32)33-18(24(39)45-12-6)15(29-26(31)33)21(36)42-9-3;1-4-7(13)19-10(16-4)20-8(14)5(2)18-12(20)21-9(15)6(3)17-11(19)21;10-1-4(13)19-7(16-1)20-5(14)2(11)18-9(20)21-6(15)3(12)17-8(19)21/h1-30H;13-14H,1-10H3;7-12H2,1-6H3;1-3H3;
InChIKeyRDCQSQDCAMYERX-UHFFFAOYSA-N
XLogP21.60
TPSA557.40 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds26
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003054.50
LogP ≤ 521.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene with MolForge

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Related Compounds

CID 161486441
CID 161486441
CID 167685693
CID 167685693
CID 167688271
CID 167688271
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(2-phenylethyl)purine-2,6-dione;7-[(3-bromophenyl)methyl]-8-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione;ethyl 2-[7-[(3-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]acetate;ethyl 3-[7-[(3-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]propanoate;ethyl (E)-3-[7-[(3-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]prop-2-enoate
CID 158206065

Frequently Asked Questions

What is the IUPAC name of 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The IUPAC name of 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (CID 160591749) is 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.
What is the SMILES notation for 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The canonical SMILES for 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is Brc1nc2n(c1Br)c1nc(Br)c(Br)n1c1nc(Br)c(Br)n21.CC(N=C=O)c1nc2n3c(C(=O)N(C)C)c(C(=O)N(C)C)nc3n3c(C(=O)N(C)C)c(C(=O)N(C)C)nc3n2c1C(C)N=C=O.CCOC(=O)c1nc2n(c1C(=O)OCC)c1nc(C(=O)OCC)c(C(=O)OCC)n1c1nc(C(=O)OCC)c(C(=O)OCC)n21.Cc1nc2n(c1Br)c1nc(C)c(Br)n1c1nc(C)c(Br)n21.c1ccc(-c2nc3n(c2-c2ccccc2)c2nc(-c4ccccc4)c(-c4ccccc4)n2c2nc(-c4ccccc4)c(-c4ccccc4)n32)cc1.
What is the InChIKey of 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The InChIKey is RDCQSQDCAMYERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6.C27H32N12O6.C27H30N6O12.C12H9Br3N6.C9Br6N6/c1-7-19-31(20-8-1)37-40(34-25-13-4-14-26-34)49-43(46-37)50-41(35-27-15-5-16-28-35)38(32-21-9-2-10-22-32)48-45(50)51-42(36-29-17-6-18-30-36)39(47-44(49)51)33-23-11-3-12-24-33;1-13(28-11-40)15-18(14(2)29-12-41)37-25(30-15)38-19(23(44)35(7)8)17(22(43)34(5)6)32-27(38)39-20(24(45)36(9)10)16(31-26(37)39)21(42)33(3)4;1-7-40-19(34)13-16(22(37)43-10-4)31-25(28-13)32-17(23(38)44-11-5)14(20(35)41-8-2)30-27(32)33-18(24(39)45-12-6)15(29-26(31)33)21(36)42-9-3;1-4-7(13)19-10(16-4)20-8(14)5(2)18-12(20)21-9(15)6(3)17-11(19)21;10-1-4(13)19-7(16-1)20-5(14)2(11)18-9(20)21-6(15)3(12)17-8(19)21/h1-30H;13-14H,1-10H3;7-12H2,1-6H3;1-3H3;.
What are the key properties of 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene has a molecular weight of 3054.50 g/mol, XLogP of 21.60, 26 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-bis(1-isocyanatoethyl)-4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N-octamethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10-tetracarboxamide;4,5,9,10,14,15-hexabromo-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;hexaethyl 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene-4,5,9,10,14,15-hexacarboxylate;4,5,9,10,14,15-hexakis-phenyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene;5,10,15-tribromo-4,9,14-trimethyl-1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is sourced from PubChem (CID 160591749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).