23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene

C52H34N6 — CID 90267121

IUPAC23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C52H34N6/c1-5-15-35(16-6-1)51-53-54-52(36-17-7-2-8-18-36)58(51)41-27-25-40(26-28-41)57-48-34-47-37(31-32-55(47)38-19-9-3-10-20-38)33-44(48)42-29-30-46-49(50(42)57)43-23-13-14-24-45(43)56(46)39-21-11-4-12-22-39/h1-34H
InChIKeyGVFSDRDPYLODDI-UHFFFAOYSA-N
MW742.89 g/mol
LogP12.74
Rot. Bonds6

About 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene

23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene (PubChem CID 90267121) has the molecular formula C52H34N6 and a molecular weight of 742.89 g/mol. Its IUPAC name is 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene.

Molecular Properties

Compound Name23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
PubChem CID90267121
Molecular FormulaC52H34N6
Molecular Weight742.89 g/mol
Exact Mass742.28
IUPAC Name23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C52H34N6/c1-5-15-35(16-6-1)51-53-54-52(36-17-7-2-8-18-36)58(51)41-27-25-40(26-28-41)57-48-34-47-37(31-32-55(47)38-19-9-3-10-20-38)33-44(48)42-29-30-46-49(50(42)57)43-23-13-14-24-45(43)56(46)39-21-11-4-12-22-39/h1-34H
InChIKeyGVFSDRDPYLODDI-UHFFFAOYSA-N
XLogP12.74
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267242
5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146227213
14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
CID 90267141
11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 123940572
5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146226899
9,17-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-9,17,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
CID 90267302
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307
7-phenyl-20-(9-phenylcarbazol-3-yl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223118
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-10-[4-[4-phenyl-6-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 163726164
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole
CID 90195034
7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164990213
5-[3-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 158557547

Frequently Asked Questions

What is the IUPAC name of 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene?
The IUPAC name of 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene (CID 90267121) is 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene.
What is the SMILES notation for 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene?
The canonical SMILES for 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene is c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1.
What is the InChIKey of 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene?
The InChIKey is GVFSDRDPYLODDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6/c1-5-15-35(16-6-1)51-53-54-52(36-17-7-2-8-18-36)58(51)41-27-25-40(26-28-41)57-48-34-47-37(31-32-55(47)38-19-9-3-10-20-38)33-44(48)42-29-30-46-49(50(42)57)43-23-13-14-24-45(43)56(46)39-21-11-4-12-22-39/h1-34H.
What are the key properties of 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene?
23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene has a molecular weight of 742.89 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene is sourced from PubChem (CID 90267121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).