3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran

C232H138O4 — CID 160928007

About 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran

3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran (PubChem CID 160928007) has the molecular formula C232H138O4 and a molecular weight of 2989.65 g/mol. Its IUPAC name is 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran.

Molecular Properties

• Compound Name: 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran
• PubChem CID: 160928007
• Molecular Formula: C232H138O4
• Molecular Weight: 2989.65 g/mol
• Exact Mass: 2987.06
• IUPAC Name: 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran
• SMILES: C=C/C=C\c1cc2c3ccccc3c3ccccc3c2cc1-c1ccc2cc(-c3ccc4c(c3)oc3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc34)ccc2c1.c1ccc2c(-c3ccc4c(c3)oc3cc(-c5ccc6cc(-c7cc8c9ccccc9c9ccccc9c8c8ccccc78)ccc6c5)ccc34)cccc2c1.c1ccc2c(-c3ccc4c(c3)oc3cc(-c5ccc6ccc(-c7cc8c9ccccc9c9ccccc9c8c8ccccc78)cc6c5)ccc34)cccc2c1.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5ccc6ccc(-c7cc8c9ccccc9c9ccccc9c8c8ccccc78)cc6c5)ccc34)cc21
• InChI: InChI=1S/C62H36O.C62H38O.2C54H32O/c1-2-12-44-38(11-1)25-28-51-46-14-3-5-16-48(46)56(35-58(44)51)42-27-30-53-52-29-26-40(33-60(52)63-61(53)34-42)39-23-21-37-22-24-41(32-43(37)31-39)57-36-59-49-17-6-4-13-45(49)47-15-7-9-19-54(47)62(59)55-20-10-8-18-50(55)57;1-2-3-12-43-33-58-51-19-10-7-15-47(51)48-16-8-11-20-52(48)60(58)36-56(43)44-24-23-39-31-40(21-22-41(39)32-44)42-26-29-54-55-30-27-45(35-62(55)63-61(54)34-42)57-37-59-46-14-5-4-13-38(46)25-28-53(59)49-17-6-9-18-50(49)57;1-2-12-40-34(10-1)11-9-19-41(40)38-25-27-47-46-26-24-36(30-52(46)55-53(47)31-38)35-22-20-33-21-23-37(29-39(33)28-35)50-32-51-44-15-4-3-13-42(44)43-14-5-7-17-48(43)54(51)49-18-8-6-16-45(49)50;1-2-12-40-33(10-1)11-9-19-41(40)39-25-27-47-46-26-24-37(30-52(46)55-53(47)31-39)35-20-21-36-29-38(23-22-34(36)28-35)50-32-51-44-15-4-3-13-42(44)43-14-5-7-17-48(43)54(51)49-18-8-6-16-45(49)50/h1-36H;2-37H,1H2;2*1-32H/b;12-3-
• InChIKey: SSWYLRCOVYXQCH-DSINRNBUSA-N
• XLogP: 66.68
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2989.65
LogP ≤ 5	66.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran?

The IUPAC name of 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran (CID 160928007) is 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran.

What is the SMILES notation for 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran?

The canonical SMILES for 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran is C=C/C=C\c1cc2c3ccccc3c3ccccc3c2cc1-c1ccc2cc(-c3ccc4c(c3)oc3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc34)ccc2c1.c1ccc2c(-c3ccc4c(c3)oc3cc(-c5ccc6cc(-c7cc8c9ccccc9c9ccccc9c8c8ccccc78)ccc6c5)ccc34)cccc2c1.c1ccc2c(-c3ccc4c(c3)oc3cc(-c5ccc6ccc(-c7cc8c9ccccc9c9ccccc9c8c8ccccc78)cc6c5)ccc34)cccc2c1.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5ccc6ccc(-c7cc8c9ccccc9c9ccccc9c8c8ccccc78)cc6c5)ccc34)cc21.

What is the InChIKey of 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran?

The InChIKey is SSWYLRCOVYXQCH-DSINRNBUSA-N. The full InChI is InChI=1S/C62H36O.C62H38O.2C54H32O/c1-2-12-44-38(11-1)25-28-51-46-14-3-5-16-48(46)56(35-58(44)51)42-27-30-53-52-29-26-40(33-60(52)63-61(53)34-42)39-23-21-37-22-24-41(32-43(37)31-39)57-36-59-49-17-6-4-13-45(49)47-15-7-9-19-54(47)62(59)55-20-10-8-18-50(55)57;1-2-3-12-43-33-58-51-19-10-7-15-47(51)48-16-8-11-20-52(48)60(58)36-56(43)44-24-23-39-31-40(21-22-41(39)32-44)42-26-29-54-55-30-27-45(35-62(55)63-61(54)34-42)57-37-59-46-14-5-4-13-38(46)25-28-53(59)49-17-6-9-18-50(49)57;1-2-12-40-34(10-1)11-9-19-41(40)38-25-27-47-46-26-24-36(30-52(46)55-53(47)31-38)35-22-20-33-21-23-37(29-39(33)28-35)50-32-51-44-15-4-3-13-42(44)43-14-5-7-17-48(43)54(51)49-18-8-6-16-45(49)50;1-2-12-40-33(10-1)11-9-19-41(40)39-25-27-47-46-26-24-37(30-52(46)55-53(47)31-39)35-20-21-36-29-38(23-22-34(36)28-35)50-32-51-44-15-4-3-13-42(44)43-14-5-7-17-48(43)54(51)49-18-8-6-16-45(49)50/h1-36H;2-37H,1H2;2*1-32H/b;12-3-;;.

What are the key properties of 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran?

3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran has a molecular weight of 2989.65 g/mol, XLogP of 66.68, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[3-[(1Z)-buta-1,3-dienyl]triphenylen-2-yl]naphthalen-2-yl]-7-chrysen-6-yldibenzofuran;3-chrysen-6-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-1-yl-7-[7-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)naphthalen-2-yl]dibenzofuran is sourced from PubChem (CID 160928007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).