8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene

C175H142N20S — CID 157236853

IUPAC8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
SMILESCC(C)(C)c1nc2c(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)ccc3c2n1-c1ccccc1N3c1ccccc1.CC(C)(C)c1nc2c(-c3ccncc3)ccc3c2n1-c1ccccc1N3c1ccccc1.CCc1nc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc3c2n1-c1ccccc1N3c1ccccc1.Cc1nc2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc3c2n1-c1ccccc1N3C(C)(C)C.Cc1nc2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3c2n1-c1ccccc1N3C(C)(C)C
InChIInChI=1S/C39H28N4.C39H31N3S.C36H31N3.C33H28N6.C28H24N4/c1-2-37-40-38-29(24-25-36-39(38)43(37)35-19-11-10-18-34(35)42(36)27-12-4-3-5-13-27)26-20-22-28(23-21-26)41-32-16-8-6-14-30(32)31-15-7-9-17-33(31)41;1-39(2,3)38-40-36-30(26-18-20-28(21-19-26)35-25-24-34(43-35)27-12-6-4-7-13-27)22-23-33-37(36)42(38)32-17-11-10-16-31(32)41(33)29-14-8-5-9-15-29;1-24-37-34-30(19-20-33-35(34)38(24)31-17-11-12-18-32(31)39(33)36(2,3)4)29-22-27(25-13-7-5-8-14-25)21-28(23-29)26-15-9-6-10-16-26;1-21-34-28-24(19-20-27-29(28)38(21)25-17-11-12-18-26(25)39(27)33(2,3)4)32-36-30(22-13-7-5-8-14-22)35-31(37-32)23-15-9-6-10-16-23;1-28(2,3)27-30-25-21(19-15-17-29-18-16-19)13-14-24-26(25)32(27)23-12-8-7-11-22(23)31(24)20-9-5-4-6-10-20/h3-25H,2H2,1H3;4-25H,1-3H3;5-23H,1-4H3;5-20H,1-4H3;4-18H,1-3H3
InChIKeyAUSSWEDTKNTPIF-UHFFFAOYSA-N
MW2557.27 g/mol
LogP45.83
Rot. Bonds16

About 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene

8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene (PubChem CID 157236853) has the molecular formula C175H142N20S and a molecular weight of 2557.27 g/mol. Its IUPAC name is 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene.

Molecular Properties

Compound Name8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
PubChem CID157236853
Molecular FormulaC175H142N20S
Molecular Weight2557.27 g/mol
Exact Mass2555.14
IUPAC Name8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
SMILESCC(C)(C)c1nc2c(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)ccc3c2n1-c1ccccc1N3c1ccccc1.CC(C)(C)c1nc2c(-c3ccncc3)ccc3c2n1-c1ccccc1N3c1ccccc1.CCc1nc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc3c2n1-c1ccccc1N3c1ccccc1.Cc1nc2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc3c2n1-c1ccccc1N3C(C)(C)C.Cc1nc2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3c2n1-c1ccccc1N3C(C)(C)C
InChIInChI=1S/C39H28N4.C39H31N3S.C36H31N3.C33H28N6.C28H24N4/c1-2-37-40-38-29(24-25-36-39(38)43(37)35-19-11-10-18-34(35)42(36)27-12-4-3-5-13-27)26-20-22-28(23-21-26)41-32-16-8-6-14-30(32)31-15-7-9-17-33(31)41;1-39(2,3)38-40-36-30(26-18-20-28(21-19-26)35-25-24-34(43-35)27-12-6-4-7-13-27)22-23-33-37(36)42(38)32-17-11-10-16-31(32)41(33)29-14-8-5-9-15-29;1-24-37-34-30(19-20-33-35(34)38(24)31-17-11-12-18-32(31)39(33)36(2,3)4)29-22-27(25-13-7-5-8-14-25)21-28(23-29)26-15-9-6-10-16-26;1-21-34-28-24(19-20-27-29(28)38(21)25-17-11-12-18-26(25)39(27)33(2,3)4)32-36-30(22-13-7-5-8-14-22)35-31(37-32)23-15-9-6-10-16-23;1-28(2,3)27-30-25-21(19-15-17-29-18-16-19)13-14-24-26(25)32(27)23-12-8-7-11-22(23)31(24)20-9-5-4-6-10-20/h3-25H,2H2,1H3;4-25H,1-3H3;5-23H,1-4H3;5-20H,1-4H3;4-18H,1-3H3
InChIKeyAUSSWEDTKNTPIF-UHFFFAOYSA-N
XLogP45.83
TPSA161.79 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002557.27
LogP ≤ 545.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene with MolForge

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Related Compounds

Tld-1433
CID 145722627
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-6-pyridin-4-yl-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-5-yl)carbazole
CID 156352035
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-6-pyridin-4-yl-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352036
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-6-phenyl-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352062
9-[2-Tert-butyl-4,6-di(carbazol-9-yl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-fluorophenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352075
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-6-methyl-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352089
3,6-Di(pyrimidin-2-yl)-9-[2,4,6-tri(carbazol-9-yl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazole
CID 156352099
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-fluoro-6-pyridin-4-ylphenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352101
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352103
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-fluoro-6-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352107
3,6-Di(pyrimidin-2-yl)-9-[2,4,6-tri(carbazol-9-yl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-fluorophenyl]carbazole
CID 156352121
9-[2-Tert-butyl-4,6-di(carbazol-9-yl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352141

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?
The IUPAC name of 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene (CID 157236853) is 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene.
What is the SMILES notation for 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?
The canonical SMILES for 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene is CC(C)(C)c1nc2c(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)ccc3c2n1-c1ccccc1N3c1ccccc1.CC(C)(C)c1nc2c(-c3ccncc3)ccc3c2n1-c1ccccc1N3c1ccccc1.CCc1nc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc3c2n1-c1ccccc1N3c1ccccc1.Cc1nc2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc3c2n1-c1ccccc1N3C(C)(C)C.Cc1nc2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3c2n1-c1ccccc1N3C(C)(C)C.
What is the InChIKey of 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?
The InChIKey is AUSSWEDTKNTPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4.C39H31N3S.C36H31N3.C33H28N6.C28H24N4/c1-2-37-40-38-29(24-25-36-39(38)43(37)35-19-11-10-18-34(35)42(36)27-12-4-3-5-13-27)26-20-22-28(23-21-26)41-32-16-8-6-14-30(32)31-15-7-9-17-33(31)41;1-39(2,3)38-40-36-30(26-18-20-28(21-19-26)35-25-24-34(43-35)27-12-6-4-7-13-27)22-23-33-37(36)42(38)32-17-11-10-16-31(32)41(33)29-14-8-5-9-15-29;1-24-37-34-30(19-20-33-35(34)38(24)31-17-11-12-18-32(31)39(33)36(2,3)4)29-22-27(25-13-7-5-8-14-25)21-28(23-29)26-15-9-6-10-16-26;1-21-34-28-24(19-20-27-29(28)38(21)25-17-11-12-18-26(25)39(27)33(2,3)4)32-36-30(22-13-7-5-8-14-22)35-31(37-32)23-15-9-6-10-16-23;1-28(2,3)27-30-25-21(19-15-17-29-18-16-19)13-14-24-26(25)32(27)23-12-8-7-11-22(23)31(24)20-9-5-4-6-10-20/h3-25H,2H2,1H3;4-25H,1-3H3;5-23H,1-4H3;5-20H,1-4H3;4-18H,1-3H3.
What are the key properties of 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?
8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene has a molecular weight of 2557.27 g/mol, XLogP of 45.83, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-12-(3,5-diphenylphenyl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;8-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-methyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-[4-(5-phenylthiophen-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;15-tert-butyl-8-phenyl-12-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene;12-(4-carbazol-9-ylphenyl)-15-ethyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene is sourced from PubChem (CID 157236853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).