1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol

C74H51ClN6O6 — CID 157063536

IUPAC1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol
SMILESClc1nc(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccc(Oc3ccccc3)cc2)n1.Oc1ccc2ccccc2c1.Oc1ccc2ccccc2c1-c1nc(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C37H25N3O3.C27H18ClN3O2.C10H8O/c41-33-24-19-25-9-7-8-14-32(25)34(33)37-39-35(26-15-20-30(21-16-26)42-28-10-3-1-4-11-28)38-36(40-37)27-17-22-31(23-18-27)43-29-12-5-2-6-13-29;28-27-30-25(19-11-15-23(16-12-19)32-21-7-3-1-4-8-21)29-26(31-27)20-13-17-24(18-14-20)33-22-9-5-2-6-10-22;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-24,41H;1-18H;1-7,11H
InChIKeyABPJBDANQKHTCL-UHFFFAOYSA-N
MW1155.71 g/mol
LogP19.31
Rot. Bonds13

About 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol

1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol (PubChem CID 157063536) has the molecular formula C74H51ClN6O6 and a molecular weight of 1155.71 g/mol. Its IUPAC name is 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol.

Molecular Properties

Compound Name1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol
PubChem CID157063536
Molecular FormulaC74H51ClN6O6
Molecular Weight1155.71 g/mol
Exact Mass1154.36
IUPAC Name1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol
SMILESClc1nc(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccc(Oc3ccccc3)cc2)n1.Oc1ccc2ccccc2c1.Oc1ccc2ccccc2c1-c1nc(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C37H25N3O3.C27H18ClN3O2.C10H8O/c41-33-24-19-25-9-7-8-14-32(25)34(33)37-39-35(26-15-20-30(21-16-26)42-28-10-3-1-4-11-28)38-36(40-37)27-17-22-31(23-18-27)43-29-12-5-2-6-13-29;28-27-30-25(19-11-15-23(16-12-19)32-21-7-3-1-4-8-21)29-26(31-27)20-13-17-24(18-14-20)33-22-9-5-2-6-10-22;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-24,41H;1-18H;1-7,11H
InChIKeyABPJBDANQKHTCL-UHFFFAOYSA-N
XLogP19.31
TPSA154.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001155.71
LogP ≤ 519.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol with MolForge

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Related Compounds

1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol
CID 156562288
2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 171588817
4-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 136632194
2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 137370789
1-(3-hydroxyphenyl)-7-naphthalen-2-yloxynaphthalen-2-ol
CID 143531986
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156
2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169039928
3-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenol
CID 170926556
2-chloro-4-(2-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171731283
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol?
The IUPAC name of 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol (CID 157063536) is 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol.
What is the SMILES notation for 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol?
The canonical SMILES for 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol is Clc1nc(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccc(Oc3ccccc3)cc2)n1.Oc1ccc2ccccc2c1.Oc1ccc2ccccc2c1-c1nc(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol?
The InChIKey is ABPJBDANQKHTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3O3.C27H18ClN3O2.C10H8O/c41-33-24-19-25-9-7-8-14-32(25)34(33)37-39-35(26-15-20-30(21-16-26)42-28-10-3-1-4-11-28)38-36(40-37)27-17-22-31(23-18-27)43-29-12-5-2-6-13-29;28-27-30-25(19-11-15-23(16-12-19)32-21-7-3-1-4-8-21)29-26(31-27)20-13-17-24(18-14-20)33-22-9-5-2-6-10-22;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-24,41H;1-18H;1-7,11H.
What are the key properties of 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol?
1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol has a molecular weight of 1155.71 g/mol, XLogP of 19.31, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol;2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine;naphthalen-2-ol is sourced from PubChem (CID 157063536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).