3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C84H50O2 — CID 167091815

About 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 167091815) has the molecular formula C84H50O2 and a molecular weight of 1091.32 g/mol. Its IUPAC name is 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 167091815
• Molecular Formula: C84H50O2
• Molecular Weight: 1091.32 g/mol
• Exact Mass: 1090.38
• IUPAC Name: 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• SMILES: c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5oc6c7ccc(-c8cccc(-c9ccc%10oc%11c%12ccccc%12ccc%11c%10c9-c9c%10ccccc%10c(-c%10ccccc%10)c%10ccccc9%10)c8)cc7ccc6c45)c4ccccc34)c2)cc1
• InChI: InChI=1S/C84H50O2/c1-3-20-51(21-4-1)54-25-18-28-59(50-54)77-63-30-9-13-34-67(63)78(68-35-14-10-31-64(68)77)71-38-19-39-74-79(71)72-45-42-58-49-56(41-43-62(58)84(72)85-74)55-26-17-27-57(48-55)60-46-47-75-81(73-44-40-52-22-7-8-29-61(52)83(73)86-75)82(60)80-69-36-15-11-32-65(69)76(53-23-5-2-6-24-53)66-33-12-16-37-70(66)80/h1-50H
• InChIKey: WMMPBTXMAWMNEK-UHFFFAOYSA-N
• XLogP: 24.07
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.32
LogP ≤ 5	24.07
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 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 167091815) is 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5oc6c7ccc(-c8cccc(-c9ccc%10oc%11c%12ccccc%12ccc%11c%10c9-c9c%10ccccc%10c(-c%10ccccc%10)c%10ccccc9%10)c8)cc7ccc6c45)c4ccccc34)c2)cc1.

What is the InChIKey of 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The InChIKey is WMMPBTXMAWMNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50O2/c1-3-20-51(21-4-1)54-25-18-28-59(50-54)77-63-30-9-13-34-67(63)78(68-35-14-10-31-64(68)77)71-38-19-39-74-79(71)72-45-42-58-49-56(41-43-62(58)84(72)85-74)55-26-17-27-57(48-55)60-46-47-75-81(73-44-40-52-22-7-8-29-61(52)83(73)86-75)82(60)80-69-36-15-11-32-65(69)76(53-23-5-2-6-24-53)66-33-12-16-37-70(66)80/h1-50H.

What are the key properties of 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 1091.32 g/mol, XLogP of 24.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 167091815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).