2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C66H44BClN6O2Se2 — CID 167688723

IUPAC2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.OB(O)c1cccc2c1[se]c1ccccc12.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1
InChIInChI=1S/C33H21N3Se.C21H14ClN3.C12H9BO2Se/c1-3-10-22(11-4-1)23-18-20-25(21-19-23)32-34-31(24-12-5-2-6-13-24)35-33(36-32)28-16-9-15-27-26-14-7-8-17-29(26)37-30(27)28;22-21-24-19(17-9-5-2-6-10-17)23-20(25-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-21H;1-14H;1-7,14-15H
InChIKeyWPIQUPHAQQZFJO-UHFFFAOYSA-N
MW1157.30 g/mol
LogP14.16
Rot. Bonds8

About 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 167688723) has the molecular formula C66H44BClN6O2Se2 and a molecular weight of 1157.30 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID167688723
Molecular FormulaC66H44BClN6O2Se2
Molecular Weight1157.30 g/mol
Exact Mass1158.16
IUPAC Name2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.OB(O)c1cccc2c1[se]c1ccccc12.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1
InChIInChI=1S/C33H21N3Se.C21H14ClN3.C12H9BO2Se/c1-3-10-22(11-4-1)23-18-20-25(21-19-23)32-34-31(24-12-5-2-6-13-24)35-33(36-32)28-16-9-15-27-26-14-7-8-17-29(26)37-30(27)28;22-21-24-19(17-9-5-2-6-10-17)23-20(25-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-21H;1-14H;1-7,14-15H
InChIKeyWPIQUPHAQQZFJO-UHFFFAOYSA-N
XLogP14.16
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001157.30
LogP ≤ 514.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-dichloro-6-(4-phenylphenyl)-1,3,5-triazine;(2-phenylphenyl)boronic acid
CID 158875121
2-dibenzoselenophen-4-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164943489
bis(2-chloro-4,6-diphenyl-1,3,5-triazine);bis((2-fluorophenyl)boronic acid);bis(2-(2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine)
CID 160609973
2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 164943600
CID 164943605
CID 164943605
CID 160699482
CID 160699482
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-chloro-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;(4-phenylphenyl)boronic acid;2-phenyl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543234
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-(6-chrysen-3-yldibenzoselenophen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-3-ylphenyl)-4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazine
CID 167543310
2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2,4-dichloro-6-(3-phenylphenyl)-1,3,5-triazine;phenylboronic acid
CID 159203578
2-dibenzoselenophen-4-yl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 171445740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 167688723) is 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.OB(O)c1cccc2c1[se]c1ccccc12.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is WPIQUPHAQQZFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3Se.C21H14ClN3.C12H9BO2Se/c1-3-10-22(11-4-1)23-18-20-25(21-19-23)32-34-31(24-12-5-2-6-13-24)35-33(36-32)28-16-9-15-27-26-14-7-8-17-29(26)37-30(27)28;22-21-24-19(17-9-5-2-6-10-17)23-20(25-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-21H;1-14H;1-7,14-15H.
What are the key properties of 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1157.30 g/mol, XLogP of 14.16, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167688723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).