2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine

C126H74Cl4N12S4 — CID 158906470

IUPAC2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3sc4cccc(-c5ccccc5)c4c23)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3sc4c(-c5ccccc5)cccc4c23)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3sc4cc(-c5cc6ccccc6c6ccccc56)ccc4c23)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3sc4ccc(-c5cccc6ccccc56)cc4c23)n1
InChIInChI=1S/C35H20ClN3S.C33H20ClN3S.C31H18ClN3S.C27H16ClN3S/c36-35-38-33(21-9-2-1-3-10-21)37-34(39-35)28-15-8-16-30-32(28)27-18-17-23(20-31(27)40-30)29-19-22-11-4-5-12-24(22)25-13-6-7-14-26(25)29;34-33-36-31(24-15-7-14-23(20-24)21-10-3-1-4-11-21)35-32(37-33)26-17-9-19-28-30(26)29-25(16-8-18-27(29)38-28)22-12-5-2-6-13-22;32-31-34-29(20-9-2-1-3-10-20)33-30(35-31)24-14-7-15-27-28(24)25-18-21(16-17-26(25)36-27)23-13-6-11-19-8-4-5-12-22(19)23;28-27-30-25(18-11-5-2-6-12-18)29-26(31-27)21-15-8-16-22-23(21)20-14-7-13-19(24(20)32-22)17-9-3-1-4-10-17/h1-20H;1-20H;1-18H;1-16H
InChIKeyJGCJYNSDIBXBDE-UHFFFAOYSA-N
MW2026.14 g/mol
LogP36.70
Rot. Bonds13

About 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine

2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine (PubChem CID 158906470) has the molecular formula C126H74Cl4N12S4 and a molecular weight of 2026.14 g/mol. Its IUPAC name is 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine
PubChem CID158906470
Molecular FormulaC126H74Cl4N12S4
Molecular Weight2026.14 g/mol
Exact Mass2022.38
IUPAC Name2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3sc4cccc(-c5ccccc5)c4c23)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3sc4c(-c5ccccc5)cccc4c23)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3sc4cc(-c5cc6ccccc6c6ccccc56)ccc4c23)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3sc4ccc(-c5cccc6ccccc56)cc4c23)n1
InChIInChI=1S/C35H20ClN3S.C33H20ClN3S.C31H18ClN3S.C27H16ClN3S/c36-35-38-33(21-9-2-1-3-10-21)37-34(39-35)28-15-8-16-30-32(28)27-18-17-23(20-31(27)40-30)29-19-22-11-4-5-12-24(22)25-13-6-7-14-26(25)29;34-33-36-31(24-15-7-14-23(20-24)21-10-3-1-4-11-21)35-32(37-33)26-17-9-19-28-30(26)29-25(16-8-18-27(29)38-28)22-12-5-2-6-13-22;32-31-34-29(20-9-2-1-3-10-20)33-30(35-31)24-14-7-15-27-28(24)25-18-21(16-17-26(25)36-27)23-13-6-11-19-8-4-5-12-22(19)23;28-27-30-25(18-11-5-2-6-12-18)29-26(31-27)21-15-8-16-22-23(21)20-14-7-13-19(24(20)32-22)17-9-3-1-4-10-17/h1-20H;1-20H;1-18H;1-16H
InChIKeyJGCJYNSDIBXBDE-UHFFFAOYSA-N
XLogP36.70
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.14
LogP ≤ 536.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-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-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 161029861
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
CID 161201937
4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine
CID 158502454
2-chloro-4-dibenzothiophen-1-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845129
2-[4-(8-phenanthren-9-yldibenzothiophen-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140946720
2-dibenzothiophen-3-yl-4-[2-(8-phenanthren-9-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946192
2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 155762434
2-phenanthren-2-yl-4-(9-phenyldibenzothiophen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9-phenyldibenzothiophen-3-yl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(9-phenyldibenzothiophen-3-yl)-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165094130
2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
CID 155470926
2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 134199250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine (CID 158906470) is 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3sc4cccc(-c5ccccc5)c4c23)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3sc4c(-c5ccccc5)cccc4c23)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3sc4cc(-c5cc6ccccc6c6ccccc56)ccc4c23)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3sc4ccc(-c5cccc6ccccc56)cc4c23)n1.
What is the InChIKey of 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
The InChIKey is JGCJYNSDIBXBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20ClN3S.C33H20ClN3S.C31H18ClN3S.C27H16ClN3S/c36-35-38-33(21-9-2-1-3-10-21)37-34(39-35)28-15-8-16-30-32(28)27-18-17-23(20-31(27)40-30)29-19-22-11-4-5-12-24(22)25-13-6-7-14-26(25)29;34-33-36-31(24-15-7-14-23(20-24)21-10-3-1-4-11-21)35-32(37-33)26-17-9-19-28-30(26)29-25(16-8-18-27(29)38-28)22-12-5-2-6-13-22;32-31-34-29(20-9-2-1-3-10-20)33-30(35-31)24-14-7-15-27-28(24)25-18-21(16-17-26(25)36-27)23-13-6-11-19-8-4-5-12-22(19)23;28-27-30-25(18-11-5-2-6-12-18)29-26(31-27)21-15-8-16-22-23(21)20-14-7-13-19(24(20)32-22)17-9-3-1-4-10-17/h1-20H;1-20H;1-18H;1-16H.
What are the key properties of 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine has a molecular weight of 2026.14 g/mol, XLogP of 36.70, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 158906470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).