3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine

C23H15Cl3N4O3 — CID 88715344

IUPAC3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(Cl)n1.O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H15NO3.C3Cl3N3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24;4-1-7-2(5)9-3(6)8-1/h1-12,22-23H,(H,21,24);
InChIKeyLQGNDDXRPPCFGG-UHFFFAOYSA-N
MW501.76 g/mol
LogP5.22
Rot. Bonds2

About 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine

3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine (PubChem CID 88715344) has the molecular formula C23H15Cl3N4O3 and a molecular weight of 501.76 g/mol. Its IUPAC name is 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Name3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine
PubChem CID88715344
Molecular FormulaC23H15Cl3N4O3
Molecular Weight501.76 g/mol
Exact Mass500.02
IUPAC Name3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(Cl)n1.O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H15NO3.C3Cl3N3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24;4-1-7-2(5)9-3(6)8-1/h1-12,22-23H,(H,21,24);
InChIKeyLQGNDDXRPPCFGG-UHFFFAOYSA-N
XLogP5.22
TPSA108.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.76
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine (CID 88715344) is 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine is Clc1nc(Cl)nc(Cl)n1.O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is LQGNDDXRPPCFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3.C3Cl3N3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24;4-1-7-2(5)9-3(6)8-1/h1-12,22-23H,(H,21,24);.
What are the key properties of 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine?
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 501.76 g/mol, XLogP of 5.22, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 88715344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).