1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole

C110H67NO3 — CID 167624935

About 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole

1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole (PubChem CID 167624935) has the molecular formula C110H67NO3 and a molecular weight of 1450.75 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole.

Molecular Properties

• Compound Name: 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole
• PubChem CID: 167624935
• Molecular Formula: C110H67NO3
• Molecular Weight: 1450.75 g/mol
• Exact Mass: 1449.51
• IUPAC Name: 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)ccc2c1
• InChI: InChI=1S/C56H35NO.C54H32O2/c1-3-15-37(16-4-1)53-44-20-7-9-22-46(44)54(47-23-10-8-21-45(47)53)38-29-27-36(28-30-38)41-33-34-52-56(48-24-12-14-26-51(48)58-52)55(41)39-31-32-43-42-19-11-13-25-49(42)57(50(43)35-39)40-17-5-2-6-18-40;1-2-12-36-31-37(26-21-33(36)11-1)52-43-16-5-3-14-41(43)51(42-15-4-6-17-44(42)52)35-24-22-34(23-25-35)39-28-30-50-54(45-18-8-10-20-48(45)56-50)53(39)38-27-29-49-46(32-38)40-13-7-9-19-47(40)55-49/h1-35H;1-32H
• InChIKey: MYWMVNUIGQNWCL-UHFFFAOYSA-N
• XLogP: 31.27
• TPSA: 44.35 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1450.75
LogP ≤ 5	31.27
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-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole?

The IUPAC name of 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole (CID 167624935) is 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole.

What is the SMILES notation for 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole?

The canonical SMILES for 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)ccc2c1.

What is the InChIKey of 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole?

The InChIKey is MYWMVNUIGQNWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO.C54H32O2/c1-3-15-37(16-4-1)53-44-20-7-9-22-46(44)54(47-23-10-8-21-45(47)53)38-29-27-36(28-30-38)41-33-34-52-56(48-24-12-14-26-51(48)58-52)55(41)39-31-32-43-42-19-11-13-25-49(42)57(50(43)35-39)40-17-5-2-6-18-40;1-2-12-36-31-37(26-21-33(36)11-1)52-43-16-5-3-14-41(43)51(42-15-4-6-17-44(42)52)35-24-22-34(23-25-35)39-28-30-50-54(45-18-8-10-20-48(45)56-50)53(39)38-27-29-49-46(32-38)40-13-7-9-19-47(40)55-49/h1-35H;1-32H.

What are the key properties of 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole?

1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole has a molecular weight of 1450.75 g/mol, XLogP of 31.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 167624935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).