2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran

C112H62O4 — CID 155335063

About 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran

2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran (PubChem CID 155335063) has the molecular formula C112H62O4 and a molecular weight of 1471.72 g/mol. Its IUPAC name is 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
• PubChem CID: 155335063
• Molecular Formula: C112H62O4
• Molecular Weight: 1471.72 g/mol
• Exact Mass: 1470.46
• IUPAC Name: 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
• SMILES: c1ccc2c(-c3c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4cc4c(-c5cc6ccc(-c7cccc8c(-c9c%10cccc(-c%11cccc%12c%11oc%11ccc%13ccccc%13c%11%12)c%10cc%10c(-c%11cccc%12c%11oc%11ccc%13ccccc%13c%11%12)cccc9%10)cccc78)cc6c6c5oc5ccccc56)cccc34)cccc2c1
• InChI: InChI=1S/C112H62O4/c1-5-27-69-63(22-1)26-13-40-80(69)103-84-44-18-38-78(97-59-66-25-4-8-30-73(66)107-88-31-9-11-50-99(88)113-111(97)107)95(84)62-96-79(39-19-45-85(96)103)98-60-68-53-52-67(58-92(68)108-89-32-10-12-51-100(89)114-112(98)108)70-33-14-35-75-74(70)34-15-41-81(75)104-82-42-16-36-76(86-46-20-48-90-105-71-28-6-2-23-64(71)54-56-101(105)115-109(86)90)93(82)61-94-77(37-17-43-83(94)104)87-47-21-49-91-106-72-29-7-3-24-65(72)55-57-102(106)116-110(87)91/h1-62H
• InChIKey: DFQLCQHWZFPHJN-UHFFFAOYSA-N
• XLogP: 32.49
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1471.72
LogP ≤ 5	32.49
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 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran?

The IUPAC name of 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran (CID 155335063) is 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran is c1ccc2c(-c3c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4cc4c(-c5cc6ccc(-c7cccc8c(-c9c%10cccc(-c%11cccc%12c%11oc%11ccc%13ccccc%13c%11%12)c%10cc%10c(-c%11cccc%12c%11oc%11ccc%13ccccc%13c%11%12)cccc9%10)cccc78)cc6c6c5oc5ccccc56)cccc34)cccc2c1.

What is the InChIKey of 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran?

The InChIKey is DFQLCQHWZFPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H62O4/c1-5-27-69-63(22-1)26-13-40-80(69)103-84-44-18-38-78(97-59-66-25-4-8-30-73(66)107-88-31-9-11-50-99(88)113-111(97)107)95(84)62-96-79(39-19-45-85(96)103)98-60-68-53-52-67(58-92(68)108-89-32-10-12-51-100(89)114-112(98)108)70-33-14-35-75-74(70)34-15-41-81(75)104-82-42-16-36-76(86-46-20-48-90-105-71-28-6-2-23-64(71)54-56-101(105)115-109(86)90)93(82)61-94-77(37-17-43-83(94)104)87-47-21-49-91-106-72-29-7-3-24-65(72)55-57-102(106)116-110(87)91/h1-62H.

What are the key properties of 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran?

2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran has a molecular weight of 1471.72 g/mol, XLogP of 32.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 155335063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).