1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran

C126H74O3 — CID 174315881

About 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran

1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 174315881) has the molecular formula C126H74O3 and a molecular weight of 1635.98 g/mol. Its IUPAC name is 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
• PubChem CID: 174315881
• Molecular Formula: C126H74O3
• Molecular Weight: 1635.98 g/mol
• Exact Mass: 1634.56
• IUPAC Name: 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
• SMILES: c1cc(-c2cccc3cc(-c4cccc5oc6c(-c7c8ccccc8c(-c8ccccc8-c8cccc9ccc(-c%10ccc%11oc%12c(-c%13c%14ccccc%14c(-c%14ccccc%14-c%14ccc%15ccccc%15c%14)c%14ccccc%13%14)cccc%12c%11c%10)cc89)c8ccccc78)cccc6c45)ccc23)cc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1
• InChI: InChI=1S/C126H74O3/c1-2-29-77-70-82(65-62-75(77)28-1)86-34-3-5-37-92(86)118-98-43-11-15-47-102(98)121(103-48-16-12-44-99(103)118)109-57-25-55-107-113-74-79(67-69-115(113)128-125(107)109)78-64-63-76-30-22-53-90(112(76)73-78)89-35-4-6-38-93(89)119-100-45-13-17-49-104(100)122(105-50-18-14-46-101(105)119)110-58-26-59-111-123-88(52-27-61-116(123)129-126(110)111)83-66-68-87-80(71-83)32-23-51-85(87)81-31-21-33-84(72-81)117-94-39-7-9-41-96(94)120(97-42-10-8-40-95(97)117)108-56-24-54-106-91-36-19-20-60-114(91)127-124(106)108/h1-74H
• InChIKey: RSYBRAQRUFGNEF-UHFFFAOYSA-N
• XLogP: 36.10
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1635.98
LogP ≤ 5	36.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran?

The IUPAC name of 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran (CID 174315881) is 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran?

The canonical SMILES for 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran is c1cc(-c2cccc3cc(-c4cccc5oc6c(-c7c8ccccc8c(-c8ccccc8-c8cccc9ccc(-c%10ccc%11oc%12c(-c%13c%14ccccc%14c(-c%14ccccc%14-c%14ccc%15ccccc%15c%14)c%14ccccc%13%14)cccc%12c%11c%10)cc89)c8ccccc78)cccc6c45)ccc23)cc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1.

What is the InChIKey of 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran?

The InChIKey is RSYBRAQRUFGNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H74O3/c1-2-29-77-70-82(65-62-75(77)28-1)86-34-3-5-37-92(86)118-98-43-11-15-47-102(98)121(103-48-16-12-44-99(103)118)109-57-25-55-107-113-74-79(67-69-115(113)128-125(107)109)78-64-63-76-30-22-53-90(112(76)73-78)89-35-4-6-38-93(89)119-100-45-13-17-49-104(100)122(105-50-18-14-46-101(105)119)110-58-26-59-111-123-88(52-27-61-116(123)129-126(110)111)83-66-68-87-80(71-83)32-23-51-85(87)81-31-21-33-84(72-81)117-94-39-7-9-41-96(94)120(97-42-10-8-40-95(97)117)108-56-24-54-106-91-36-19-20-60-114(91)127-124(106)108/h1-74H.

What are the key properties of 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran?

1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran has a molecular weight of 1635.98 g/mol, XLogP of 36.10, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]naphthalen-2-yl]-6-[10-[2-[7-[6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 174315881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).