8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C265H175N25 — CID 161124224

IUPAC8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4c(n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4c(n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc45)-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4c(n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(c6ccccc64)-c4ccccc4N(c4ccccc4)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5c(c6ccccc64)-c4ccccc4N(c4ccccc4)c4ccccc4-5)c3)n2)cc1
InChIInChI=1S/2C59H39N5.C53H35N5.2C47H31N5/c1-5-20-40(21-6-1)45-36-46(41-22-7-2-8-23-41)39-48(38-45)63-52-33-16-13-30-49(52)55-50-31-14-17-34-53(50)64(56(55)51-32-15-18-35-54(51)63)47-29-19-28-44(37-47)59-61-57(42-24-9-3-10-25-42)60-58(62-59)43-26-11-4-12-27-43;1-5-19-40(20-6-1)45-37-46(41-21-7-2-8-22-41)39-48(38-45)63-52-30-16-13-27-49(52)55-50-28-14-17-31-53(50)64(56(55)51-29-15-18-32-54(51)63)47-35-33-44(34-36-47)59-61-57(42-23-9-3-10-24-42)60-58(62-59)43-25-11-4-12-26-43;1-5-19-36(20-6-1)40-33-41(37-21-7-2-8-22-37)35-42(34-40)57-46-30-16-13-27-43(46)49-44-28-14-17-31-47(44)58(50(49)45-29-15-18-32-48(45)57)53-55-51(38-23-9-3-10-24-38)54-52(56-53)39-25-11-4-12-26-39;1-4-17-32(18-5-1)45-48-46(33-19-6-2-7-20-33)50-47(49-45)34-21-16-24-36(31-34)52-41-29-14-11-26-38(41)43-37-25-10-13-28-40(37)51(35-22-8-3-9-23-35)42-30-15-12-27-39(42)44(43)52;1-4-16-32(17-5-1)45-48-46(33-18-6-2-7-19-33)50-47(49-45)34-28-30-36(31-29-34)52-41-26-14-11-23-38(41)43-37-22-10-13-25-40(37)51(35-20-8-3-9-21-35)42-27-15-12-24-39(42)44(43)52/h2*1-39H;1-35H;2*1-31H
InChIKeyULIQECVIAVGANQ-UHFFFAOYSA-N
MW3709.49 g/mol
LogP68.00
Rot. Bonds30

About 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 161124224) has the molecular formula C265H175N25 and a molecular weight of 3709.49 g/mol. Its IUPAC name is 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

Compound Name8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
PubChem CID161124224
Molecular FormulaC265H175N25
Molecular Weight3709.49 g/mol
Exact Mass3706.45
IUPAC Name8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4c(n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4c(n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc45)-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4c(n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(c6ccccc64)-c4ccccc4N(c4ccccc4)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5c(c6ccccc64)-c4ccccc4N(c4ccccc4)c4ccccc4-5)c3)n2)cc1
InChIInChI=1S/2C59H39N5.C53H35N5.2C47H31N5/c1-5-20-40(21-6-1)45-36-46(41-22-7-2-8-23-41)39-48(38-45)63-52-33-16-13-30-49(52)55-50-31-14-17-34-53(50)64(56(55)51-32-15-18-35-54(51)63)47-29-19-28-44(37-47)59-61-57(42-24-9-3-10-25-42)60-58(62-59)43-26-11-4-12-27-43;1-5-19-40(20-6-1)45-37-46(41-21-7-2-8-22-41)39-48(38-45)63-52-30-16-13-27-49(52)55-50-28-14-17-31-53(50)64(56(55)51-29-15-18-32-54(51)63)47-35-33-44(34-36-47)59-61-57(42-23-9-3-10-24-42)60-58(62-59)43-25-11-4-12-26-43;1-5-19-36(20-6-1)40-33-41(37-21-7-2-8-22-37)35-42(34-40)57-46-30-16-13-27-43(46)49-44-28-14-17-31-47(44)58(50(49)45-29-15-18-32-48(45)57)53-55-51(38-23-9-3-10-24-38)54-52(56-53)39-25-11-4-12-26-39;1-4-17-32(18-5-1)45-48-46(33-19-6-2-7-20-33)50-47(49-45)34-21-16-24-36(31-34)52-41-29-14-11-26-38(41)43-37-25-10-13-28-40(37)51(35-22-8-3-9-23-35)42-30-15-12-27-39(42)44(43)52;1-4-16-32(17-5-1)45-48-46(33-18-6-2-7-19-33)50-47(49-45)34-28-30-36(31-29-34)52-41-26-14-11-23-38(41)43-37-22-10-13-25-40(37)51(35-20-8-3-9-21-35)42-27-15-12-24-39(42)44(43)52/h2*1-39H;1-35H;2*1-31H
InChIKeyULIQECVIAVGANQ-UHFFFAOYSA-N
XLogP68.00
TPSA234.20 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms290
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003709.49
LogP ≤ 568.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
The IUPAC name of 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 161124224) is 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.
What is the SMILES notation for 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
The canonical SMILES for 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4c(n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4c(n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc45)-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4c(n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(c6ccccc64)-c4ccccc4N(c4ccccc4)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5c(c6ccccc64)-c4ccccc4N(c4ccccc4)c4ccccc4-5)c3)n2)cc1.
What is the InChIKey of 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
The InChIKey is ULIQECVIAVGANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H39N5.C53H35N5.2C47H31N5/c1-5-20-40(21-6-1)45-36-46(41-22-7-2-8-23-41)39-48(38-45)63-52-33-16-13-30-49(52)55-50-31-14-17-34-53(50)64(56(55)51-32-15-18-35-54(51)63)47-29-19-28-44(37-47)59-61-57(42-24-9-3-10-25-42)60-58(62-59)43-26-11-4-12-27-43;1-5-19-40(20-6-1)45-37-46(41-21-7-2-8-22-41)39-48(38-45)63-52-30-16-13-27-49(52)55-50-28-14-17-31-53(50)64(56(55)51-29-15-18-32-54(51)63)47-35-33-44(34-36-47)59-61-57(42-23-9-3-10-24-42)60-58(62-59)43-25-11-4-12-26-43;1-5-19-36(20-6-1)40-33-41(37-21-7-2-8-22-37)35-42(34-40)57-46-30-16-13-27-43(46)49-44-28-14-17-31-47(44)58(50(49)45-29-15-18-32-48(45)57)53-55-51(38-23-9-3-10-24-38)54-52(56-53)39-25-11-4-12-26-39;1-4-17-32(18-5-1)45-48-46(33-19-6-2-7-20-33)50-47(49-45)34-21-16-24-36(31-34)52-41-29-14-11-26-38(41)43-37-25-10-13-28-40(37)51(35-22-8-3-9-23-35)42-30-15-12-27-39(42)44(43)52;1-4-16-32(17-5-1)45-48-46(33-18-6-2-7-19-33)50-47(49-45)34-28-30-36(31-29-34)52-41-26-14-11-23-38(41)43-37-22-10-13-25-40(37)51(35-20-8-3-9-21-35)42-27-15-12-24-39(42)44(43)52/h2*1-39H;1-35H;2*1-31H.
What are the key properties of 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?
8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 3709.49 g/mol, XLogP of 68.00, 30 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-diphenylphenyl)-22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(3,5-diphenylphenyl)-22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 161124224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).