1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole

C48H32N6 — CID 58261320

IUPAC1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole
SMILESc1ccc2c(c1)ccn2-c1cc(-c2ccc(-n3ncc4ccccc43)cc2)c(-n2ccc3ccccc32)cc1-c1ccc(-n2ncc3ccccc32)cc1
InChIInChI=1S/C48H32N6/c1-5-13-43-35(9-1)25-27-51(43)47-29-42(34-19-23-40(24-20-34)54-46-16-8-4-12-38(46)32-50-54)48(52-28-26-36-10-2-6-14-44(36)52)30-41(47)33-17-21-39(22-18-33)53-45-15-7-3-11-37(45)31-49-53/h1-32H
InChIKeyUKXPIZWMILPAGP-UHFFFAOYSA-N
MW692.83 g/mol
LogP11.59
Rot. Bonds6

About 1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole

1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole (PubChem CID 58261320) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole.

Molecular Properties

Compound Name1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole
PubChem CID58261320
Molecular FormulaC48H32N6
Molecular Weight692.83 g/mol
Exact Mass692.27
IUPAC Name1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole
SMILESc1ccc2c(c1)ccn2-c1cc(-c2ccc(-n3ncc4ccccc43)cc2)c(-n2ccc3ccccc32)cc1-c1ccc(-n2ncc3ccccc32)cc1
InChIInChI=1S/C48H32N6/c1-5-13-43-35(9-1)25-27-51(43)47-29-42(34-19-23-40(24-20-34)54-46-16-8-4-12-38(46)32-50-54)48(52-28-26-36-10-2-6-14-44(36)52)30-41(47)33-17-21-39(22-18-33)53-45-15-7-3-11-37(45)31-49-53/h1-32H
InChIKeyUKXPIZWMILPAGP-UHFFFAOYSA-N
XLogP11.59
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.83
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole?
The IUPAC name of 1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole (CID 58261320) is 1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole.
What is the SMILES notation for 1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole?
The canonical SMILES for 1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole is c1ccc2c(c1)ccn2-c1cc(-c2ccc(-n3ncc4ccccc43)cc2)c(-n2ccc3ccccc32)cc1-c1ccc(-n2ncc3ccccc32)cc1.
What is the InChIKey of 1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole?
The InChIKey is UKXPIZWMILPAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-5-13-43-35(9-1)25-27-51(43)47-29-42(34-19-23-40(24-20-34)54-46-16-8-4-12-38(46)32-50-54)48(52-28-26-36-10-2-6-14-44(36)52)30-41(47)33-17-21-39(22-18-33)53-45-15-7-3-11-37(45)31-49-53/h1-32H.
What are the key properties of 1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole?
1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole has a molecular weight of 692.83 g/mol, XLogP of 11.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-indazol-1-ylphenyl)-2,5-di(indol-1-yl)phenyl]phenyl]indazole is sourced from PubChem (CID 58261320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).