1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole

C63H42N6 — CID 122487853

IUPAC1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-n4ncc5ccccc54)cc3)cc(-c3ccccc3-c3ccc(-n4ncc5ccccc54)cc3)c2)c(-c2ccc(-n3ncc4ccccc43)cc2)c1
InChIInChI=1S/C63H42N6/c1-10-22-61-46(13-1)40-64-67(61)52-31-25-43(26-32-52)55-16-4-7-19-58(55)49-37-50(59-20-8-5-17-56(59)44-27-33-53(34-28-44)68-62-23-11-2-14-47(62)41-65-68)39-51(38-49)60-21-9-6-18-57(60)45-29-35-54(36-30-45)69-63-24-12-3-15-48(63)42-66-69/h1-42H
InChIKeyNYDBGSGRNZRSSD-UHFFFAOYSA-N
MW883.07 g/mol
LogP15.71
Rot. Bonds9

About 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole

1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole (PubChem CID 122487853) has the molecular formula C63H42N6 and a molecular weight of 883.07 g/mol. Its IUPAC name is 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole.

Molecular Properties

Compound Name1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole
PubChem CID122487853
Molecular FormulaC63H42N6
Molecular Weight883.07 g/mol
Exact Mass882.35
IUPAC Name1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-n4ncc5ccccc54)cc3)cc(-c3ccccc3-c3ccc(-n4ncc5ccccc54)cc3)c2)c(-c2ccc(-n3ncc4ccccc43)cc2)c1
InChIInChI=1S/C63H42N6/c1-10-22-61-46(13-1)40-64-67(61)52-31-25-43(26-32-52)55-16-4-7-19-58(55)49-37-50(59-20-8-5-17-56(59)44-27-33-53(34-28-44)68-62-23-11-2-14-47(62)41-65-68)39-51(38-49)60-21-9-6-18-57(60)45-29-35-54(36-30-45)69-63-24-12-3-15-48(63)42-66-69/h1-42H
InChIKeyNYDBGSGRNZRSSD-UHFFFAOYSA-N
XLogP15.71
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.07
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole?
The IUPAC name of 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole (CID 122487853) is 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole.
What is the SMILES notation for 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole?
The canonical SMILES for 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole is c1ccc(-c2cc(-c3ccccc3-c3ccc(-n4ncc5ccccc54)cc3)cc(-c3ccccc3-c3ccc(-n4ncc5ccccc54)cc3)c2)c(-c2ccc(-n3ncc4ccccc43)cc2)c1.
What is the InChIKey of 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole?
The InChIKey is NYDBGSGRNZRSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N6/c1-10-22-61-46(13-1)40-64-67(61)52-31-25-43(26-32-52)55-16-4-7-19-58(55)49-37-50(59-20-8-5-17-56(59)44-27-33-53(34-28-44)68-62-23-11-2-14-47(62)41-65-68)39-51(38-49)60-21-9-6-18-57(60)45-29-35-54(36-30-45)69-63-24-12-3-15-48(63)42-66-69/h1-42H.
What are the key properties of 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole?
1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole has a molecular weight of 883.07 g/mol, XLogP of 15.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3,5-bis[2-(4-indazol-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]indazole is sourced from PubChem (CID 122487853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).