1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran

C78H46O2 — CID 166945536

About 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran

1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 166945536) has the molecular formula C78H46O2 and a molecular weight of 1015.22 g/mol. Its IUPAC name is 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
• PubChem CID: 166945536
• Molecular Formula: C78H46O2
• Molecular Weight: 1015.22 g/mol
• Exact Mass: 1014.35
• IUPAC Name: 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
• SMILES: c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5cccc(-c7cccc8c(-c9c%10ccccc%10c(-c%10ccc%11oc%12ccccc%12c%11c%10)c%10ccccc9%10)cccc78)c56)cc4)c4ccccc34)cccc2c1
• InChI: InChI=1S/C78H46O2/c1-2-20-51-47(18-1)19-13-34-57(51)75-64-26-7-3-22-60(64)73(61-23-4-8-27-65(61)75)49-42-40-48(41-43-49)52-30-14-37-68-77-59(36-17-39-72(77)80-78(52)68)55-33-15-32-54-53(55)31-16-35-58(54)76-66-28-9-5-24-62(66)74(63-25-6-10-29-67(63)76)50-44-45-71-69(46-50)56-21-11-12-38-70(56)79-71/h1-46H
• InChIKey: AYGFCATWNMZJKD-UHFFFAOYSA-N
• XLogP: 22.41
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.22
LogP ≤ 5	22.41
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 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?

The IUPAC name of 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran (CID 166945536) is 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran.

What is the SMILES notation for 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?

The canonical SMILES for 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5cccc(-c7cccc8c(-c9c%10ccccc%10c(-c%10ccc%11oc%12ccccc%12c%11c%10)c%10ccccc9%10)cccc78)c56)cc4)c4ccccc34)cccc2c1.

What is the InChIKey of 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?

The InChIKey is AYGFCATWNMZJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46O2/c1-2-20-51-47(18-1)19-13-34-57(51)75-64-26-7-3-22-60(64)73(61-23-4-8-27-65(61)75)49-42-40-48(41-43-49)52-30-14-37-68-77-59(36-17-39-72(77)80-78(52)68)55-33-15-32-54-53(55)31-16-35-58(54)76-66-28-9-5-24-62(66)74(63-25-6-10-29-67(63)76)50-44-45-71-69(46-50)56-21-11-12-38-70(56)79-71/h1-46H.

What are the key properties of 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?

1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 1015.22 g/mol, XLogP of 22.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 166945536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).