1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene

C65H48N4OS — CID 142292939

About 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene

1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene (PubChem CID 142292939) has the molecular formula C65H48N4OS and a molecular weight of 933.19 g/mol. Its IUPAC name is 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene.

Molecular Properties

• Compound Name: 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene
• PubChem CID: 142292939
• Molecular Formula: C65H48N4OS
• Molecular Weight: 933.19 g/mol
• Exact Mass: 932.35
• IUPAC Name: 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene
• SMILES: C=CC.C=Cc1c(C=C)n(-c2ccc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3c2)c2ccc(-c3ccc4sc5cc6c7c(cccc7c5c4c3)C(/C=C\C)=C6CC)cc12
• InChI: InChI=1S/C62H42N4OS.C3H6/c1-5-16-44-42(6-2)50-35-57-59(46-22-15-21-45(44)58(46)50)51-32-39(25-30-56(51)68-57)38-23-27-53-47(31-38)43(7-3)52(8-4)66(53)41-26-29-55-49(34-41)48-33-40(24-28-54(48)67-55)62-64-60(36-17-11-9-12-18-36)63-61(65-62)37-19-13-10-14-20-37;1-3-2/h5,7-35H,3-4,6H2,1-2H3;3H,1H2,2H3/b16-5-
• InChIKey: GTEVATVCIRVQMQ-ZTQBIIPRSA-N
• XLogP: 18.59
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.19
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene?

The IUPAC name of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene (CID 142292939) is 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene.

What is the SMILES notation for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene?

The canonical SMILES for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene is C=CC.C=Cc1c(C=C)n(-c2ccc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3c2)c2ccc(-c3ccc4sc5cc6c7c(cccc7c5c4c3)C(/C=C\C)=C6CC)cc12.

What is the InChIKey of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene?

The InChIKey is GTEVATVCIRVQMQ-ZTQBIIPRSA-N. The full InChI is InChI=1S/C62H42N4OS.C3H6/c1-5-16-44-42(6-2)50-35-57-59(46-22-15-21-45(44)58(46)50)51-32-39(25-30-56(51)68-57)38-23-27-53-47(31-38)43(7-3)52(8-4)66(53)41-26-29-55-49(34-41)48-33-40(24-28-54(48)67-55)62-64-60(36-17-11-9-12-18-36)63-61(65-62)37-19-13-10-14-20-37;1-3-2/h5,7-35H,3-4,6H2,1-2H3;3H,1H2,2H3/b16-5-;.

What are the key properties of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene?

1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene has a molecular weight of 933.19 g/mol, XLogP of 18.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene is sourced from PubChem (CID 142292939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).