4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran

C180H108O3S3 — CID 158113882

About 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran

4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran (PubChem CID 158113882) has the molecular formula C180H108O3S3 and a molecular weight of 2415.04 g/mol. Its IUPAC name is 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran.

Molecular Properties

• Compound Name: 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran
• PubChem CID: 158113882
• Molecular Formula: C180H108O3S3
• Molecular Weight: 2415.04 g/mol
• Exact Mass: 2412.75
• IUPAC Name: 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran
• SMILES: c1ccc(-c2ccc3oc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.c1ccc2c(c1)sc1c(-c3ccc4c5ccc(-c6cccc7c6sc6ccccc67)cc5c5ccccc5c4c3)cccc12
• InChI: InChI=1S/C42H24S2.2C36H22O.C36H22S.C30H18O/c1-2-10-30-29(9-1)37-23-25(27-13-7-15-35-33-11-3-5-17-39(33)43-41(27)35)19-21-31(37)32-22-20-26(24-38(30)32)28-14-8-16-36-34-12-4-6-18-40(34)44-42(28)36;1-2-10-23(11-3-1)25-16-8-18-32-33-19-9-17-26(36(33)37-35(25)32)24-20-21-31-29-14-5-4-12-27(29)28-13-6-7-15-30(28)34(31)22-24;1-2-8-23(9-3-1)24-15-18-35-33(21-24)34-22-26(16-19-36(34)37-35)25-14-17-31-29-12-5-4-10-27(29)28-11-6-7-13-30(28)32(31)20-25;1-2-10-23(11-3-1)25-16-8-18-32-33-19-9-17-26(36(33)37-35(25)32)24-20-21-31-29-14-5-4-12-27(29)28-13-6-7-15-30(28)34(31)22-24;1-2-9-23-21(7-1)22-8-3-4-10-24(22)27-17-19(13-15-25(23)27)20-14-16-30-28(18-20)26-11-5-6-12-29(26)31-30/h1-24H;3*1-22H;1-18H
• InChIKey: FQTNTQQEWJWYBN-UHFFFAOYSA-N
• XLogP: 53.54
• TPSA: 39.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2415.04
LogP ≤ 5	53.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran?

The IUPAC name of 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran (CID 158113882) is 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran.

What is the SMILES notation for 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran?

The canonical SMILES for 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran is c1ccc(-c2ccc3oc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.c1ccc2c(c1)sc1c(-c3ccc4c5ccc(-c6cccc7c6sc6ccccc67)cc5c5ccccc5c4c3)cccc12.

What is the InChIKey of 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran?

The InChIKey is FQTNTQQEWJWYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24S2.2C36H22O.C36H22S.C30H18O/c1-2-10-30-29(9-1)37-23-25(27-13-7-15-35-33-11-3-5-17-39(33)43-41(27)35)19-21-31(37)32-22-20-26(24-38(30)32)28-14-8-16-36-34-12-4-6-18-40(34)44-42(28)36;1-2-10-23(11-3-1)25-16-8-18-32-33-19-9-17-26(36(33)37-35(25)32)24-20-21-31-29-14-5-4-12-27(29)28-13-6-7-15-30(28)34(31)22-24;1-2-8-23(9-3-1)24-15-18-35-33(21-24)34-22-26(16-19-36(34)37-35)25-14-17-31-29-12-5-4-10-27(29)28-11-6-7-13-30(28)32(31)20-25;1-2-10-23(11-3-1)25-16-8-18-32-33-19-9-17-26(36(33)37-35(25)32)24-20-21-31-29-14-5-4-12-27(29)28-13-6-7-15-30(28)34(31)22-24;1-2-9-23-21(7-1)22-8-3-4-10-24(22)27-17-19(13-15-25(23)27)20-14-16-30-28(18-20)26-11-5-6-12-29(26)31-30/h1-24H;3*1-22H;1-18H.

What are the key properties of 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran?

4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran has a molecular weight of 2415.04 g/mol, XLogP of 53.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran is sourced from PubChem (CID 158113882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).