1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene

C164H102S4 — CID 163845386

About 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene

1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene (PubChem CID 163845386) has the molecular formula C164H102S4 and a molecular weight of 2205.92 g/mol. Its IUPAC name is 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene.

Molecular Properties

• Compound Name: 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene
• PubChem CID: 163845386
• Molecular Formula: C164H102S4
• Molecular Weight: 2205.92 g/mol
• Exact Mass: 2203.72
• IUPAC Name: 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccccc3-c3cccc4c3sc3cccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c34)cc2)cc1.c1ccc2cc(-c3cccc4c3sc3cccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c34)ccc2c1
• InChI: InChI=1S/C54H34S.C46H28S.2C32H20S/c1-2-15-35(16-3-1)36-31-33-38(34-32-36)39-19-6-7-21-41(39)47-27-13-29-49-53-48(28-14-30-50(53)55-54(47)49)52-45-24-10-8-22-43(45)51(44-23-9-11-25-46(44)52)42-26-12-18-37-17-4-5-20-40(37)42;1-2-14-31-28-32(27-26-29(31)12-1)34-21-10-24-41-45-40(23-11-25-42(45)47-46(34)41)44-38-19-7-5-17-36(38)43(37-18-6-8-20-39(37)44)35-22-9-15-30-13-3-4-16-33(30)35;2*1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)32(27-16-7-5-14-25(27)31)22-18-19-30-28(20-22)23-12-8-9-17-29(23)33-30/h1-34H;1-28H;2*1-20H/i;;1D,2D,3D,10D,11D
• InChIKey: OPRNJVCVHNVFBR-IRSJYVKDSA-N
• XLogP: 48.91
• TPSA: 0.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2205.92
LogP ≤ 5	48.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene?

The IUPAC name of 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene (CID 163845386) is 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene.

What is the SMILES notation for 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene?

The canonical SMILES for 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccccc3-c3cccc4c3sc3cccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c34)cc2)cc1.c1ccc2cc(-c3cccc4c3sc3cccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c34)ccc2c1.

What is the InChIKey of 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene?

The InChIKey is OPRNJVCVHNVFBR-IRSJYVKDSA-N. The full InChI is InChI=1S/C54H34S.C46H28S.2C32H20S/c1-2-15-35(16-3-1)36-31-33-38(34-32-36)39-19-6-7-21-41(39)47-27-13-29-49-53-48(28-14-30-50(53)55-54(47)49)52-45-24-10-8-22-43(45)51(44-23-9-11-25-46(44)52)42-26-12-18-37-17-4-5-20-40(37)42;1-2-14-31-28-32(27-26-29(31)12-1)34-21-10-24-41-45-40(23-11-25-42(45)47-46(34)41)44-38-19-7-5-17-36(38)43(37-18-6-8-20-39(37)44)35-22-9-15-30-13-3-4-16-33(30)35;2*1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)32(27-16-7-5-14-25(27)31)22-18-19-30-28(20-22)23-12-8-9-17-29(23)33-30/h1-34H;1-28H;2*1-20H/i;;1D,2D,3D,10D,11D;.

What are the key properties of 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene?

1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene has a molecular weight of 2205.92 g/mol, XLogP of 48.91, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(10-naphthalen-1-ylanthracen-9-yl)-6-[2-(4-phenylphenyl)phenyl]dibenzothiophene;6-naphthalen-2-yl-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene is sourced from PubChem (CID 163845386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).