11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene

C64H40O2 — CID 88994634

IUPAC11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene
SMILESC1=CC2Oc3c(cc(-c4ccc5c(-c6cccc(-c7cccc8ccccc78)c6)c6ccccc6c(-c6cccc(-c7cccc8ccccc78)c6)c5c4)c4oc5ccccc5c34)C2C=C1
InChIInChI=1S/C64H40O2/c1-3-23-46-39(15-1)17-13-29-48(46)41-19-11-21-44(35-41)60-51-26-5-6-27-52(51)61(45-22-12-20-42(36-45)49-30-14-18-40-16-2-4-24-47(40)49)56-37-43(33-34-53(56)60)55-38-57-50-25-7-9-31-58(50)65-64(57)62-54-28-8-10-32-59(54)66-63(55)62/h1-38,50,58H
InChIKeyLTRIBIRDILZTOJ-UHFFFAOYSA-N
MW841.02 g/mol
LogP17.50
Rot. Bonds5

About 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene

11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene (PubChem CID 88994634) has the molecular formula C64H40O2 and a molecular weight of 841.02 g/mol. Its IUPAC name is 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene.

Molecular Properties

Compound Name11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene
PubChem CID88994634
Molecular FormulaC64H40O2
Molecular Weight841.02 g/mol
Exact Mass840.30
IUPAC Name11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene
SMILESC1=CC2Oc3c(cc(-c4ccc5c(-c6cccc(-c7cccc8ccccc78)c6)c6ccccc6c(-c6cccc(-c7cccc8ccccc78)c6)c5c4)c4oc5ccccc5c34)C2C=C1
InChIInChI=1S/C64H40O2/c1-3-23-46-39(15-1)17-13-29-48(46)41-19-11-21-44(35-41)60-51-26-5-6-27-52(51)61(45-22-12-20-42(36-45)49-30-14-18-40-16-2-4-24-47(40)49)56-37-43(33-34-53(56)60)55-38-57-50-25-7-9-31-58(50)65-64(57)62-54-28-8-10-32-59(54)66-63(55)62/h1-38,50,58H
InChIKeyLTRIBIRDILZTOJ-UHFFFAOYSA-N
XLogP17.50
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.02
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene with MolForge

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Related Compounds

11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 88568977
6-(2-ethylphenyl)-7-methyl-8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-4a,9b-dihydrodibenzofuran
CID 88995543
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841424
5-[3-[10-naphthalen-1-yl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 163666366
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine
CID 89260903
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
5-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 163772401

Frequently Asked Questions

What is the IUPAC name of 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene?
The IUPAC name of 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene (CID 88994634) is 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene.
What is the SMILES notation for 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene?
The canonical SMILES for 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene is C1=CC2Oc3c(cc(-c4ccc5c(-c6cccc(-c7cccc8ccccc78)c6)c6ccccc6c(-c6cccc(-c7cccc8ccccc78)c6)c5c4)c4oc5ccccc5c34)C2C=C1.
What is the InChIKey of 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene?
The InChIKey is LTRIBIRDILZTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40O2/c1-3-23-46-39(15-1)17-13-29-48(46)41-19-11-21-44(35-41)60-51-26-5-6-27-52(51)61(45-22-12-20-42(36-45)49-30-14-18-40-16-2-4-24-47(40)49)56-37-43(33-34-53(56)60)55-38-57-50-25-7-9-31-58(50)65-64(57)62-54-28-8-10-32-59(54)66-63(55)62/h1-38,50,58H.
What are the key properties of 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene?
11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene has a molecular weight of 841.02 g/mol, XLogP of 17.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene is sourced from PubChem (CID 88994634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).