22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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

C250H162N18 — CID 158459014

IUPAC22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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(-n3c4c(c5ccccc53)-c3ccccc3N(c3nccc5ccccc35)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc5ccccc5n3)c3ccccc3-4)cc3ccccc23)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2cccc(-c4ccc5ccccc5n4)c2)c2ccccc2-3)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2nccc4ccccc24)c2ccccc2-3)cc1.c1ccc2c(c1)-c1c(n(-c3cc4ccccc4c4ccccc34)c3ccccc13)-c1ccccc1N2c1nccc2ccccc12.c1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3ccccc13)-c1ccccc1N2c1nccc2ccccc12
InChIInChI=1S/C47H31N3.C45H29N3.C43H27N3.C41H27N3.C39H25N3.C35H23N3/c1-3-15-32(16-4-1)35-29-36(33-17-5-2-6-18-33)31-37(30-35)49-42-24-12-9-21-39(42)45-40-22-10-13-25-43(40)50(44-26-14-11-23-41(44)46(45)49)47-38-20-8-7-19-34(38)27-28-48-47;1-2-14-30(15-3-1)38-29-33(28-32-17-4-6-18-34(32)38)47-40-23-11-7-19-35(40)44-36-20-8-12-24-41(36)48(42-25-13-9-21-37(42)45(44)47)43-27-26-31-16-5-10-22-39(31)46-43;1-4-16-31-28(13-1)25-26-44-43(31)46-38-23-11-8-20-35(38)41-34-19-7-10-22-37(34)45(42(41)36-21-9-12-24-39(36)46)40-27-29-14-2-3-15-30(29)32-17-5-6-18-33(32)40;1-2-15-30(16-3-1)44-38-23-10-6-19-33(38)40-32-18-5-9-22-37(32)43(39-24-11-7-20-34(39)41(40)44)31-17-12-14-29(27-31)36-26-25-28-13-4-8-21-35(28)42-36;1-2-13-28-25-29(22-21-26(28)11-1)41-34-18-8-5-15-31(34)37-32-16-6-9-19-35(32)42(36-20-10-7-17-33(36)38(37)41)39-30-14-4-3-12-27(30)23-24-40-39;1-2-13-25(14-3-1)37-30-19-9-6-16-27(30)33-28-17-7-10-20-31(28)38(32-21-11-8-18-29(32)34(33)37)35-26-15-5-4-12-24(26)22-23-36-35/h1-31H;1-29H;1-27H;1-27H;1-25H;1-23H
InChIKeyHEXWNHHTWJRYJQ-UHFFFAOYSA-N
MW3418.17 g/mol
LogP67.06
Rot. Bonds16

About 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 158459014) has the molecular formula C250H162N18 and a molecular weight of 3418.17 g/mol. Its IUPAC name is 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 Name22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 CID158459014
Molecular FormulaC250H162N18
Molecular Weight3418.17 g/mol
Exact Mass3415.32
IUPAC Name22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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(-n3c4c(c5ccccc53)-c3ccccc3N(c3nccc5ccccc35)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc5ccccc5n3)c3ccccc3-4)cc3ccccc23)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2cccc(-c4ccc5ccccc5n4)c2)c2ccccc2-3)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2nccc4ccccc24)c2ccccc2-3)cc1.c1ccc2c(c1)-c1c(n(-c3cc4ccccc4c4ccccc34)c3ccccc13)-c1ccccc1N2c1nccc2ccccc12.c1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3ccccc13)-c1ccccc1N2c1nccc2ccccc12
InChIInChI=1S/C47H31N3.C45H29N3.C43H27N3.C41H27N3.C39H25N3.C35H23N3/c1-3-15-32(16-4-1)35-29-36(33-17-5-2-6-18-33)31-37(30-35)49-42-24-12-9-21-39(42)45-40-22-10-13-25-43(40)50(44-26-14-11-23-41(44)46(45)49)47-38-20-8-7-19-34(38)27-28-48-47;1-2-14-30(15-3-1)38-29-33(28-32-17-4-6-18-34(32)38)47-40-23-11-7-19-35(40)44-36-20-8-12-24-41(36)48(42-25-13-9-21-37(42)45(44)47)43-27-26-31-16-5-10-22-39(31)46-43;1-4-16-31-28(13-1)25-26-44-43(31)46-38-23-11-8-20-35(38)41-34-19-7-10-22-37(34)45(42(41)36-21-9-12-24-39(36)46)40-27-29-14-2-3-15-30(29)32-17-5-6-18-33(32)40;1-2-15-30(16-3-1)44-38-23-10-6-19-33(38)40-32-18-5-9-22-37(32)43(39-24-11-7-20-34(39)41(40)44)31-17-12-14-29(27-31)36-26-25-28-13-4-8-21-35(28)42-36;1-2-13-28-25-29(22-21-26(28)11-1)41-34-18-8-5-15-31(34)37-32-16-6-9-19-35(32)42(36-20-10-7-17-33(36)38(37)41)39-30-14-4-3-12-27(30)23-24-40-39;1-2-13-25(14-3-1)37-30-19-9-6-16-27(30)33-28-17-7-10-20-31(28)38(32-21-11-8-18-29(32)34(33)37)35-26-15-5-4-12-24(26)22-23-36-35/h1-31H;1-29H;1-27H;1-27H;1-25H;1-23H
InChIKeyHEXWNHHTWJRYJQ-UHFFFAOYSA-N
XLogP67.06
TPSA126.36 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms268
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003418.17
LogP ≤ 567.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 158459014) is 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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(-n3c4c(c5ccccc53)-c3ccccc3N(c3nccc5ccccc35)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc5ccccc5n3)c3ccccc3-4)cc3ccccc23)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2cccc(-c4ccc5ccccc5n4)c2)c2ccccc2-3)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2nccc4ccccc24)c2ccccc2-3)cc1.c1ccc2c(c1)-c1c(n(-c3cc4ccccc4c4ccccc34)c3ccccc13)-c1ccccc1N2c1nccc2ccccc12.c1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3ccccc13)-c1ccccc1N2c1nccc2ccccc12.
What is the InChIKey of 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 HEXWNHHTWJRYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3.C45H29N3.C43H27N3.C41H27N3.C39H25N3.C35H23N3/c1-3-15-32(16-4-1)35-29-36(33-17-5-2-6-18-33)31-37(30-35)49-42-24-12-9-21-39(42)45-40-22-10-13-25-43(40)50(44-26-14-11-23-41(44)46(45)49)47-38-20-8-7-19-34(38)27-28-48-47;1-2-14-30(15-3-1)38-29-33(28-32-17-4-6-18-34(32)38)47-40-23-11-7-19-35(40)44-36-20-8-12-24-41(36)48(42-25-13-9-21-37(42)45(44)47)43-27-26-31-16-5-10-22-39(31)46-43;1-4-16-31-28(13-1)25-26-44-43(31)46-38-23-11-8-20-35(38)41-34-19-7-10-22-37(34)45(42(41)36-21-9-12-24-39(36)46)40-27-29-14-2-3-15-30(29)32-17-5-6-18-33(32)40;1-2-15-30(16-3-1)44-38-23-10-6-19-33(38)40-32-18-5-9-22-37(32)43(39-24-11-7-20-34(39)41(40)44)31-17-12-14-29(27-31)36-26-25-28-13-4-8-21-35(28)42-36;1-2-13-28-25-29(22-21-26(28)11-1)41-34-18-8-5-15-31(34)37-32-16-6-9-19-35(32)42(36-20-10-7-17-33(36)38(37)41)39-30-14-4-3-12-27(30)23-24-40-39;1-2-13-25(14-3-1)37-30-19-9-6-16-27(30)33-28-17-7-10-20-31(28)38(32-21-11-8-18-29(32)34(33)37)35-26-15-5-4-12-24(26)22-23-36-35/h1-31H;1-29H;1-27H;1-27H;1-25H;1-23H.
What are the key properties of 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 3418.17 g/mol, XLogP of 67.06, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(3,5-diphenylphenyl)-8-isoquinolin-1-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-isoquinolin-1-yl-22-naphthalen-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-isoquinolin-1-yl-22-phenanthren-9-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-isoquinolin-1-yl-22-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-phenylnaphthalen-2-yl)-8-quinolin-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;22-phenyl-8-(3-quinolin-2-ylphenyl)-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 158459014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).