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

C54H33NO — CID 165169914

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

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 165169914) has the molecular formula C54H33NO and a molecular weight of 719.91 g/mol. Its IUPAC name is 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: 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: 165169914
• Molecular Formula: C54H33NO
• Molecular Weight: 719.91 g/mol
• Exact Mass: 719.31
• IUPAC Name: 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])c2c(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)c5oc6ccccc6c5c4)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
• InChI: InChI=1S/C54H33NO/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/h1-33H/i6D,7D,8D,9D,23D,24D,25D,26D
• InChIKey: UFFTVUFUBSIMCJ-UIIICJRWSA-N
• XLogP: 15.14
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.91
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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 9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole (CID 165169914) is 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 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 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])c2c(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)c5oc6ccccc6c5c4)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].

What is the InChIKey of 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 UFFTVUFUBSIMCJ-UIIICJRWSA-N. The full InChI is InChI=1S/C54H33NO/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/h1-33H/i6D,7D,8D,9D,23D,24D,25D,26D.

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

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 719.91 g/mol, XLogP of 15.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 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 165169914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).