9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol

C40H26ClN3O2 — CID 153297690

IUPAC9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol
SMILESOC1(c2cc(Cl)ccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C40H26ClN3O2/c41-28-23-24-30(34(25-28)40(45)32-19-9-11-21-35(32)46-36-22-12-10-20-33(36)40)29-17-7-8-18-31(29)39-43-37(26-13-3-1-4-14-26)42-38(44-39)27-15-5-2-6-16-27/h1-25,45H
InChIKeyPPZDGPRCCDJXTC-UHFFFAOYSA-N
MW616.12 g/mol
LogP9.58
Rot. Bonds5

About 9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol

9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol (PubChem CID 153297690) has the molecular formula C40H26ClN3O2 and a molecular weight of 616.12 g/mol. Its IUPAC name is 9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol.

Molecular Properties

Compound Name9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol
PubChem CID153297690
Molecular FormulaC40H26ClN3O2
Molecular Weight616.12 g/mol
Exact Mass615.17
IUPAC Name9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol
SMILESOC1(c2cc(Cl)ccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C40H26ClN3O2/c41-28-23-24-30(34(25-28)40(45)32-19-9-11-21-35(32)46-36-22-12-10-20-33(36)40)29-17-7-8-18-31(29)39-43-37(26-13-3-1-4-14-26)42-38(44-39)27-15-5-2-6-16-27/h1-25,45H
InChIKeyPPZDGPRCCDJXTC-UHFFFAOYSA-N
XLogP9.58
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.12
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]-1,3,5-triazine
CID 146343033
2-chloro-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
CID 134194053
2-(2-phenylphenyl)-4,6-di(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,3,5-triazine
CID 174271533
lithium;4a,9a-dihydroxanthen-9-one;acetic acid;2-[2-(4-chlorobenzene-6-id-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol;2-(7-chlorospiro[fluorene-9,9'-xanthene]-4-yl)-4,6-diphenyl-1,3,5-triazine;methane
CID 157085879
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 160865421
2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine
CID 142602973
2-(9,9-diphenylxanthen-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146388522
2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
CID 154596998
2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571454
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263

Frequently Asked Questions

What is the IUPAC name of 9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol?
The IUPAC name of 9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol (CID 153297690) is 9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol.
What is the SMILES notation for 9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol?
The canonical SMILES for 9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol is OC1(c2cc(Cl)ccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol?
The InChIKey is PPZDGPRCCDJXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26ClN3O2/c41-28-23-24-30(34(25-28)40(45)32-19-9-11-21-35(32)46-36-22-12-10-20-33(36)40)29-17-7-8-18-31(29)39-43-37(26-13-3-1-4-14-26)42-38(44-39)27-15-5-2-6-16-27/h1-25,45H.
What are the key properties of 9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol?
9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol has a molecular weight of 616.12 g/mol, XLogP of 9.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol is sourced from PubChem (CID 153297690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).