5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran

C102H58O3 — CID 163495061

About 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran

5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 163495061) has the molecular formula C102H58O3 and a molecular weight of 1331.58 g/mol. Its IUPAC name is 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 163495061
• Molecular Formula: C102H58O3
• Molecular Weight: 1331.58 g/mol
• Exact Mass: 1330.44
• IUPAC Name: 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6c7cccc(-c8ccc9ccc(-c%10c%11ccccc%11c(-c%11ccc%12oc%13ccc(-c%14cc%15c%16ccccc%16oc%15c%15ccccc%14%15)cc%13c%12c%11)c%11ccccc%10%11)cc9c8)c7oc6c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1
• InChI: InChI=1S/C102H58O3/c1-2-21-61-52-64(44-41-59(61)20-1)96-79-31-11-13-33-81(79)99(82-34-14-12-32-80(82)96)83-49-48-73(69-22-3-4-23-70(69)83)88-58-92-86-38-19-37-68(100(86)105-102(92)85-36-16-6-25-72(85)88)62-43-40-60-42-45-65(54-67(60)53-62)97-75-27-7-9-29-77(75)98(78-30-10-8-28-76(78)97)66-47-51-95-90(56-66)89-55-63(46-50-94(89)103-95)87-57-91-74-26-17-18-39-93(74)104-101(91)84-35-15-5-24-71(84)87/h1-58H
• InChIKey: CPZFFKVYMZKZPN-UHFFFAOYSA-N
• XLogP: 29.43
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1331.58
LogP ≤ 5	29.43
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 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran (CID 163495061) is 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6c7cccc(-c8ccc9ccc(-c%10c%11ccccc%11c(-c%11ccc%12oc%13ccc(-c%14cc%15c%16ccccc%16oc%15c%15ccccc%14%15)cc%13c%12c%11)c%11ccccc%10%11)cc9c8)c7oc6c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1.

What is the InChIKey of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran?

The InChIKey is CPZFFKVYMZKZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H58O3/c1-2-21-61-52-64(44-41-59(61)20-1)96-79-31-11-13-33-81(79)99(82-34-14-12-32-80(82)96)83-49-48-73(69-22-3-4-23-70(69)83)88-58-92-86-38-19-37-68(100(86)105-102(92)85-36-16-6-25-72(85)88)62-43-40-60-42-45-65(54-67(60)53-62)97-75-27-7-9-29-77(75)98(78-30-10-8-28-76(78)97)66-47-51-95-90(56-66)89-55-63(46-50-94(89)103-95)87-57-91-74-26-17-18-39-93(74)104-101(91)84-35-15-5-24-71(84)87/h1-58H.

What are the key properties of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran?

5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 1331.58 g/mol, XLogP of 29.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 163495061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).