2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine

C193H125N17OS7 — CID 157149960

About 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine

2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine (PubChem CID 157149960) has the molecular formula C193H125N17OS7 and a molecular weight of 2922.71 g/mol. Its IUPAC name is 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine
• PubChem CID: 157149960
• Molecular Formula: C193H125N17OS7
• Molecular Weight: 2922.71 g/mol
• Exact Mass: 2919.83
• IUPAC Name: 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine
• SMILES: C=CCCC(=C)c1nc(-c2cccc(-c3cccc4c3sc3cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc34)c2)nc2c1sc1ccccc12.c1ccc(Oc2cnc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)nc2-c2ccccc2)cc1.c1ccc(Sc2cnc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)ccc34)nc2-c2ccccc2)cc1.c1ccc(Sc2cnc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc34)nc2-c2ccccc2)cc1
• InChI: InChI=1S/C52H36N2S2.2C49H31N5S2.C43H27N5OS/c1-3-4-15-33(2)48-51-49(45-22-11-12-25-46(45)55-51)54-52(53-48)38-21-13-20-37(28-38)42-23-14-24-44-43-27-26-36(32-47(43)56-50(42)44)41-30-39(34-16-7-5-8-17-34)29-40(31-41)35-18-9-6-10-19-35;1-5-15-32(16-6-1)35-21-13-22-36(29-35)47-52-46(34-19-9-3-10-20-34)53-48(54-47)37-27-28-39-40-25-14-26-41(45(40)56-42(39)30-37)49-50-31-43(55-38-23-11-4-12-24-38)44(51-49)33-17-7-2-8-18-33;1-5-14-32(15-6-1)33-24-26-36(27-25-33)47-52-46(35-18-9-3-10-19-35)53-48(54-47)37-28-29-39-40-22-13-23-41(45(40)56-42(39)30-37)49-50-31-43(55-38-20-11-4-12-21-38)44(51-49)34-16-7-2-8-17-34;1-5-14-28(15-6-1)38-36(49-32-20-11-4-12-21-32)27-44-43(45-38)35-23-13-22-34-33-25-24-31(26-37(33)50-39(34)35)42-47-40(29-16-7-2-8-17-29)46-41(48-42)30-18-9-3-10-19-30/h3,5-14,16-32H,1-2,4,15H2;2*1-31H;1-27H
• InChIKey: ALDGDJGEDCMBSV-UHFFFAOYSA-N
• XLogP: 53.05
• TPSA: 228.36 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2922.71
LogP ≤ 5	53.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine?

The IUPAC name of 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine (CID 157149960) is 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine.

What is the SMILES notation for 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine?

The canonical SMILES for 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine is C=CCCC(=C)c1nc(-c2cccc(-c3cccc4c3sc3cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc34)c2)nc2c1sc1ccccc12.c1ccc(Oc2cnc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)nc2-c2ccccc2)cc1.c1ccc(Sc2cnc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)ccc34)nc2-c2ccccc2)cc1.c1ccc(Sc2cnc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc34)nc2-c2ccccc2)cc1.

What is the InChIKey of 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine?

The InChIKey is ALDGDJGEDCMBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S2.2C49H31N5S2.C43H27N5OS/c1-3-4-15-33(2)48-51-49(45-22-11-12-25-46(45)55-51)54-52(53-48)38-21-13-20-37(28-38)42-23-14-24-44-43-27-26-36(32-47(43)56-50(42)44)41-30-39(34-16-7-5-8-17-34)29-40(31-41)35-18-9-6-10-19-35;1-5-15-32(16-6-1)35-21-13-22-36(29-35)47-52-46(34-19-9-3-10-20-34)53-48(54-47)37-27-28-39-40-25-14-26-41(45(40)56-42(39)30-37)49-50-31-43(55-38-23-11-4-12-24-38)44(51-49)33-17-7-2-8-18-33;1-5-14-32(15-6-1)33-24-26-36(27-25-33)47-52-46(35-18-9-3-10-19-35)53-48(54-47)37-28-29-39-40-22-13-23-41(45(40)56-42(39)30-37)49-50-31-43(55-38-20-11-4-12-21-38)44(51-49)34-16-7-2-8-17-34;1-5-14-28(15-6-1)38-36(49-32-20-11-4-12-21-32)27-44-43(45-38)35-23-13-22-34-33-25-24-31(26-37(33)50-39(34)35)42-47-40(29-16-7-2-8-17-29)46-41(48-42)30-18-9-3-10-19-30/h3,5-14,16-32H,1-2,4,15H2;2*1-31H;1-27H.

What are the key properties of 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine?

2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine has a molecular weight of 2922.71 g/mol, XLogP of 53.05, 32 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[7-(3,5-diphenylphenyl)dibenzothiophen-4-yl]phenyl]-4-hexa-1,5-dien-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-5-phenylsulfanylpyrimidin-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine is sourced from PubChem (CID 157149960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).