benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine

C196H120N20O6S2 — CID 160757593

About benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine

benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 160757593) has the molecular formula C196H120N20O6S2 and a molecular weight of 2915.38 g/mol. Its IUPAC name is benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 160757593
• Molecular Formula: C196H120N20O6S2
• Molecular Weight: 2915.38 g/mol
• Exact Mass: 2912.91
• IUPAC Name: benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: C=C/C=C\C=C\c1nc(-c2cccc3c2oc2ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc23)nc2c1oc1ccccc12.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cc(-c7nc(-c8ccccc8)c8oc9ccccc9c8n7)ccc6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)c8oc9ccccc9c8n7)c6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc(-c6ncc7sc8ccccc8c7n6)ccc45)n3)c2)cc1.c1ccccc1
• InChI: InChI=1S/2C49H29N5O2.C49H31N5O2.C43H25N5S2.C6H6/c1-4-14-30(15-5-1)33-20-12-21-34(28-33)47-52-46(32-18-8-3-9-19-32)53-48(54-47)35-26-27-40-38(29-35)42-37(23-13-25-41(42)55-40)49-50-43(31-16-6-2-7-17-31)45-44(51-49)36-22-10-11-24-39(36)56-45;1-4-13-30(14-5-1)33-19-12-20-34(27-33)48-52-46(32-17-8-3-9-18-32)53-49(54-48)35-24-26-41-39(28-35)37-25-23-36(29-42(37)55-41)47-50-43(31-15-6-2-7-16-31)45-44(51-47)38-21-10-11-22-40(38)56-45;1-2-3-4-11-25-40-45-43(37-22-12-13-26-41(37)56-45)51-49(50-40)38-24-15-23-36-39-30-35(27-28-42(39)55-44(36)38)48-53-46(32-18-9-6-10-19-32)52-47(54-48)34-21-14-20-33(29-34)31-16-7-5-8-17-31;1-3-11-26(12-4-1)28-15-9-16-29(23-28)42-46-41(27-13-5-2-6-14-27)47-43(48-42)34-19-10-18-32-31-22-21-30(24-36(31)50-39(32)34)40-44-25-37-38(45-40)33-17-7-8-20-35(33)49-37;1-2-4-6-5-3-1/h2*1-29H;2-30H,1H2;1-25H;1-6H/b;;4-3-,25-11+
• InChIKey: RXQDKKCHECNOPC-JALFOKTKSA-N
• XLogP: 50.89
• TPSA: 336.64 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2915.38
LogP ≤ 5	50.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 160757593) is benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine is C=C/C=C\C=C\c1nc(-c2cccc3c2oc2ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc23)nc2c1oc1ccccc12.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cc(-c7nc(-c8ccccc8)c8oc9ccccc9c8n7)ccc6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)c8oc9ccccc9c8n7)c6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc(-c6ncc7sc8ccccc8c7n6)ccc45)n3)c2)cc1.c1ccccc1.

What is the InChIKey of benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is RXQDKKCHECNOPC-JALFOKTKSA-N. The full InChI is InChI=1S/2C49H29N5O2.C49H31N5O2.C43H25N5S2.C6H6/c1-4-14-30(15-5-1)33-20-12-21-34(28-33)47-52-46(32-18-8-3-9-19-32)53-48(54-47)35-26-27-40-38(29-35)42-37(23-13-25-41(42)55-40)49-50-43(31-16-6-2-7-17-31)45-44(51-49)36-22-10-11-24-39(36)56-45;1-4-13-30(14-5-1)33-19-12-20-34(27-33)48-52-46(32-17-8-3-9-18-32)53-49(54-48)35-24-26-41-39(28-35)37-25-23-36(29-42(37)55-41)47-50-43(31-15-6-2-7-16-31)45-44(51-47)38-21-10-11-22-40(38)56-45;1-2-3-4-11-25-40-45-43(37-22-12-13-26-41(37)56-45)51-49(50-40)38-24-15-23-36-39-30-35(27-28-42(39)55-44(36)38)48-53-46(32-18-9-6-10-19-32)52-47(54-48)34-21-14-20-33(29-34)31-16-7-5-8-17-31;1-3-11-26(12-4-1)28-15-9-16-29(23-28)42-46-41(27-13-5-2-6-14-27)47-43(48-42)34-19-10-18-32-31-22-21-30(24-36(31)50-39(32)34)40-44-25-37-38(45-40)33-17-7-8-20-35(33)49-37;1-2-4-6-5-3-1/h2*1-29H;2-30H,1H2;1-25H;1-6H/b;;4-3-,25-11+;;.

What are the key properties of benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine?

benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2915.38 g/mol, XLogP of 50.89, 25 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 160757593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).