7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene

C52H30O2 — CID 122415800

IUPAC7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5cc7oc8ccccc8c7cc56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C52H30O2/c1-2-14-33-31(12-1)13-11-22-39(33)51-40-18-5-7-20-42(40)52(43-21-8-6-19-41(43)51)44-27-26-34(35-15-3-4-16-36(35)44)32-24-25-38-46-29-45-37-17-9-10-23-47(37)53-49(45)30-50(46)54-48(38)28-32/h1-30H
InChIKeyANFPWDMDTZZTPM-UHFFFAOYSA-N
MW686.81 g/mol
LogP15.10
Rot. Bonds3

About 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene

7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (PubChem CID 122415800) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.

Molecular Properties

Compound Name7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
PubChem CID122415800
Molecular FormulaC52H30O2
Molecular Weight686.81 g/mol
Exact Mass686.22
IUPAC Name7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5cc7oc8ccccc8c7cc56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C52H30O2/c1-2-14-33-31(12-1)13-11-22-39(33)51-40-18-5-7-20-42(40)52(43-21-8-6-19-41(43)51)44-27-26-34(35-15-3-4-16-36(35)44)32-24-25-38-46-29-45-37-17-9-10-23-47(37)53-49(45)30-50(46)54-48(38)28-32/h1-30H
InChIKeyANFPWDMDTZZTPM-UHFFFAOYSA-N
XLogP15.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.81
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene with MolForge

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Related Compounds

7-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425860
3-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 122426333
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415788
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122426263
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652642
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
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
7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 122415581
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842

Frequently Asked Questions

What is the IUPAC name of 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The IUPAC name of 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (CID 122415800) is 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.
What is the SMILES notation for 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The canonical SMILES for 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5cc7oc8ccccc8c7cc56)c5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The InChIKey is ANFPWDMDTZZTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-2-14-33-31(12-1)13-11-22-39(33)51-40-18-5-7-20-42(40)52(43-21-8-6-19-41(43)51)44-27-26-34(35-15-3-4-16-36(35)44)32-24-25-38-46-29-45-37-17-9-10-23-47(37)53-49(45)30-50(46)54-48(38)28-32/h1-30H.
What are the key properties of 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene has a molecular weight of 686.81 g/mol, XLogP of 15.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is sourced from PubChem (CID 122415800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).