7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene

C92H52O4 — CID 163682165

About 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene

7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene (PubChem CID 163682165) has the molecular formula C92H52O4 and a molecular weight of 1221.42 g/mol. Its IUPAC name is 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
• PubChem CID: 163682165
• Molecular Formula: C92H52O4
• Molecular Weight: 1221.42 g/mol
• Exact Mass: 1220.39
• IUPAC Name: 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
• SMILES: c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5cc7oc8cc(-c9ccc(-c%10ccc(-c%11c%12ccccc%12c(-c%12ccc%13c(c%12)oc%12c%13ccc%13c%14ccccc%14oc%13%12)c%12ccccc%11%12)cc%10)cc9)ccc8c7cc56)c5ccccc45)cc3)cccc2c1
• InChI: InChI=1S/C92H52O4/c1-2-16-63-56(14-1)15-13-26-64(63)57-34-38-59(39-35-57)88-71-20-5-7-22-73(71)89(74-23-8-6-21-72(74)88)61-42-45-68-80-51-79-67-43-40-60(48-82(67)93-85(79)52-86(80)94-83(68)49-61)55-30-28-53(29-31-55)54-32-36-58(37-33-54)87-69-18-3-9-24-75(69)90(76-25-10-4-19-70(76)87)62-41-44-66-78-47-46-77-65-17-11-12-27-81(65)95-91(77)92(78)96-84(66)50-62/h1-52H
• InChIKey: JLSUKYYDORREBV-UHFFFAOYSA-N
• XLogP: 26.72
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.42
LogP ≤ 5	26.72
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 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?

The IUPAC name of 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene (CID 163682165) is 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene.

What is the SMILES notation for 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?

The canonical SMILES for 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene is c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5cc7oc8cc(-c9ccc(-c%10ccc(-c%11c%12ccccc%12c(-c%12ccc%13c(c%12)oc%12c%13ccc%13c%14ccccc%14oc%13%12)c%12ccccc%11%12)cc%10)cc9)ccc8c7cc56)c5ccccc45)cc3)cccc2c1.

What is the InChIKey of 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?

The InChIKey is JLSUKYYDORREBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H52O4/c1-2-16-63-56(14-1)15-13-26-64(63)57-34-38-59(39-35-57)88-71-20-5-7-22-73(71)89(74-23-8-6-21-72(74)88)61-42-45-68-80-51-79-67-43-40-60(48-82(67)93-85(79)52-86(80)94-83(68)49-61)55-30-28-53(29-31-55)54-32-36-58(37-33-54)87-69-18-3-9-24-75(69)90(76-25-10-4-19-70(76)87)62-41-44-66-78-47-46-77-65-17-11-12-27-81(65)95-91(77)92(78)96-84(66)50-62/h1-52H.

What are the key properties of 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?

7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene has a molecular weight of 1221.42 g/mol, XLogP of 26.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 163682165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).