2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene

C180H108O2S — CID 157382854

About 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene

2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene (PubChem CID 157382854) has the molecular formula C180H108O2S and a molecular weight of 2334.91 g/mol. Its IUPAC name is 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene.

Molecular Properties

• Compound Name: 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene
• PubChem CID: 157382854
• Molecular Formula: C180H108O2S
• Molecular Weight: 2334.91 g/mol
• Exact Mass: 2332.81
• IUPAC Name: 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene
• SMILES: c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4oc5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4sc5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3c(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cccc34)cc1-c1ccccc1-2
• InChI: InChI=1S/2C60H36O.C60H36S/c1-2-18-39-37(16-1)17-13-30-48(39)57-49-25-9-11-27-51(49)58(52-28-12-10-26-50(52)57)55-33-15-32-54-53-31-14-29-40(59(53)61-60(54)55)38-34-35-47-45-23-6-5-21-43(45)41-19-3-4-20-42(41)44-22-7-8-24-46(44)56(47)36-38;2*1-2-16-41-37(14-1)15-13-27-49(41)60-52-25-11-9-23-50(52)59(51-24-10-12-26-53(51)60)40-30-33-58-56(36-40)55-35-39(29-32-57(55)61-58)38-28-31-48-46-21-6-5-19-44(46)42-17-3-4-18-43(42)45-20-7-8-22-47(45)54(48)34-38/h3*1-36H/b43-41-,44-42-,47-45-,56-46-;2*44-42-,45-43-,48-46-,54-47-
• InChIKey: BLCABECRYSPEHC-PGPGZNPISA-N
• XLogP: 51.55
• TPSA: 26.28 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2334.91
LogP ≤ 5	51.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene?

The IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene (CID 157382854) is 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene.

What is the SMILES notation for 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene?

The canonical SMILES for 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene is c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4oc5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4sc5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3c(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cccc34)cc1-c1ccccc1-2.

What is the InChIKey of 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene?

The InChIKey is BLCABECRYSPEHC-PGPGZNPISA-N. The full InChI is InChI=1S/2C60H36O.C60H36S/c1-2-18-39-37(16-1)17-13-30-48(39)57-49-25-9-11-27-51(49)58(52-28-12-10-26-50(52)57)55-33-15-32-54-53-31-14-29-40(59(53)61-60(54)55)38-34-35-47-45-23-6-5-21-43(45)41-19-3-4-20-42(41)44-22-7-8-24-46(44)56(47)36-38;2*1-2-16-41-37(14-1)15-13-27-49(41)60-52-25-11-9-23-50(52)59(51-24-10-12-26-53(51)60)40-30-33-58-56(36-40)55-35-39(29-32-57(55)61-58)38-28-31-48-46-21-6-5-19-44(46)42-17-3-4-18-43(42)45-20-7-8-22-47(45)54(48)34-38/h3*1-36H/b43-41-,44-42-,47-45-,56-46-;2*44-42-,45-43-,48-46-,54-47-.

What are the key properties of 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene?

2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene has a molecular weight of 2334.91 g/mol, XLogP of 51.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)-6-tetraphenylen-2-yldibenzofuran;2-(10-naphthalen-1-ylanthracen-9-yl)-8-tetraphenylen-2-yldibenzothiophene is sourced from PubChem (CID 157382854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).