2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene)

C62H48N6OS — CID 142519752

About 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene)

2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene) (PubChem CID 142519752) has the molecular formula C62H48N6OS and a molecular weight of 925.17 g/mol. Its IUPAC name is 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene).

Molecular Properties

• Compound Name: 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene)
• PubChem CID: 142519752
• Molecular Formula: C62H48N6OS
• Molecular Weight: 925.17 g/mol
• Exact Mass: 924.36
• IUPAC Name: 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene)
• SMILES: C=CC.C=CC.C=Cc1c(/C=C\C)n(-c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)c8sc9ccccc9c8n7)ccc6c45)n3)ccc12
• InChI: InChI=1S/C56H36N6OS.2C3H6/c1-3-17-44-39(4-2)40-30-28-36(32-45(40)62(44)38-22-12-7-13-23-38)55-59-53(35-20-10-6-11-21-35)60-56(61-55)43-25-16-26-46-49(43)41-31-29-37(33-47(41)63-46)54-57-50(34-18-8-5-9-19-34)52-51(58-54)42-24-14-15-27-48(42)64-52;2*1-3-2/h3-33H,2H2,1H3;2*3H,1H2,2H3/b17-3-
• InChIKey: DDEFSNTZKDJFKV-PWSGTCNLSA-N
• XLogP: 17.27
• TPSA: 82.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.17
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene)?

The IUPAC name of 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene) (CID 142519752) is 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene).

What is the SMILES notation for 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene)?

The canonical SMILES for 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene) is C=CC.C=CC.C=Cc1c(/C=C\C)n(-c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)c8sc9ccccc9c8n7)ccc6c45)n3)ccc12.

What is the InChIKey of 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene)?

The InChIKey is DDEFSNTZKDJFKV-PWSGTCNLSA-N. The full InChI is InChI=1S/C56H36N6OS.2C3H6/c1-3-17-44-39(4-2)40-30-28-36(32-45(40)62(44)38-22-12-7-13-23-38)55-59-53(35-20-10-6-11-21-35)60-56(61-55)43-25-16-26-46-49(43)41-31-29-37(33-47(41)63-46)54-57-50(34-18-8-5-9-19-34)52-51(58-54)42-24-14-15-27-48(42)64-52;2*1-3-2/h3-33H,2H2,1H3;2*3H,1H2,2H3/b17-3-;;.

What are the key properties of 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene)?

2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene) has a molecular weight of 925.17 g/mol, XLogP of 17.27, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-6-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(prop-1-ene) is sourced from PubChem (CID 142519752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).