2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole

C154H95NO3 — CID 167656237

About 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole

2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole (PubChem CID 167656237) has the molecular formula C154H95NO3 and a molecular weight of 2036.63 g/mol. Its IUPAC name is 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

• Compound Name: 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole
• PubChem CID: 167656237
• Molecular Formula: C154H95NO3
• Molecular Weight: 2036.63 g/mol
• Exact Mass: 2034.91
• IUPAC Name: 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cc(-c4cc(-c5ccccc5)c5oc6ccccc6c5c4)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)c5oc6ccccc6c5c4)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cc(-c4ccc5oc6ccccc6c5c4-c4ccccc4)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H]
• InChI: InChI=1S/C54H33NO.C52H32O.C48H30O/c1-2-16-34(17-3-1)52-42-23-6-8-25-44(42)53(45-26-9-7-24-43(45)52)37-30-35-18-4-5-19-38(35)46(32-37)36-31-47-41-22-12-15-29-51(41)56-54(47)50(33-36)55-48-27-13-10-20-39(48)40-21-11-14-28-49(40)55;1-2-15-34(16-3-1)51-44(28-29-48-52(51)45-24-12-13-25-47(45)53-48)46-32-38(31-36-18-6-7-19-39(36)46)50-42-22-10-8-20-40(42)49(41-21-9-11-23-43(41)50)37-27-26-33-14-4-5-17-35(33)30-37;1-3-15-31(16-4-1)43-28-34(29-44-37-21-13-14-26-45(37)49-48(43)44)42-30-35(27-33-19-7-8-20-36(33)42)47-40-24-11-9-22-38(40)46(32-17-5-2-6-18-32)39-23-10-12-25-41(39)47/h1-33H;1-32H;1-30H/i6D,7D,8D,9D,23D,24D,25D,26D;8D,9D,10D,11D,20D,21D,22D,23D;2D,5D,6D,9D,10D,11D,12D,17D,18D,22D,23D,24D,25D
• InChIKey: RHKHTULDZYDQPI-REMSZEERSA-N
• XLogP: 43.72
• TPSA: 44.35 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2036.63
LogP ≤ 5	43.72
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 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole?

The IUPAC name of 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole (CID 167656237) is 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole.

What is the SMILES notation for 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole?

The canonical SMILES for 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cc(-c4cc(-c5ccccc5)c5oc6ccccc6c5c4)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)c5oc6ccccc6c5c4)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cc(-c4ccc5oc6ccccc6c5c4-c4ccccc4)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H].

What is the InChIKey of 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole?

The InChIKey is RHKHTULDZYDQPI-REMSZEERSA-N. The full InChI is InChI=1S/C54H33NO.C52H32O.C48H30O/c1-2-16-34(17-3-1)52-42-23-6-8-25-44(42)53(45-26-9-7-24-43(45)52)37-30-35-18-4-5-19-38(35)46(32-37)36-31-47-41-22-12-15-29-51(41)56-54(47)50(33-36)55-48-27-13-10-20-39(48)40-21-11-14-28-49(40)55;1-2-15-34(16-3-1)51-44(28-29-48-52(51)45-24-12-13-25-47(45)53-48)46-32-38(31-36-18-6-7-19-39(36)46)50-42-22-10-8-20-40(42)49(41-21-9-11-23-43(41)50)37-27-26-33-14-4-5-17-35(33)30-37;1-3-15-31(16-4-1)43-28-34(29-44-37-21-13-14-26-45(37)49-48(43)44)42-30-35(27-33-19-7-8-20-36(33)42)47-40-24-11-9-22-38(40)46(32-17-5-2-6-18-32)39-23-10-12-25-41(39)47/h1-33H;1-32H;1-30H/i6D,7D,8D,9D,23D,24D,25D,26D;8D,9D,10D,11D,20D,21D,22D,23D;2D,5D,6D,9D,10D,11D,12D,17D,18D,22D,23D,24D,25D.

What are the key properties of 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole?

2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 2036.63 g/mol, XLogP of 43.72, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 167656237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).