7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

C58H40O3 — CID 143904980

IUPAC7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
SMILESCCCc1ccc(-c2ccccc2)cc1-c1cc(-c2ccc3c(c2)oc2cc4c(cc23)oc2cc(-c3ccc5oc6ccc(-c7ccccc7)cc6c5c3)ccc24)ccc1C
InChIInChI=1S/C58H40O3/c1-3-10-38-17-18-39(36-11-6-4-7-12-36)28-48(38)47-27-41(16-15-35(47)2)43-19-23-45-51-33-58-52(34-57(51)60-55(45)31-43)46-24-20-44(32-56(46)61-58)42-22-26-54-50(30-42)49-29-40(21-25-53(49)59-54)37-13-8-5-9-14-37/h4-9,11-34H,3,10H2,1-2H3
InChIKeyVTXYGMOWPABZMM-UHFFFAOYSA-N
MW784.96 g/mol
LogP16.98
Rot. Bonds7

About 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (PubChem CID 143904980) has the molecular formula C58H40O3 and a molecular weight of 784.96 g/mol. Its IUPAC name is 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.

Molecular Properties

Compound Name7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
PubChem CID143904980
Molecular FormulaC58H40O3
Molecular Weight784.96 g/mol
Exact Mass784.30
IUPAC Name7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
SMILESCCCc1ccc(-c2ccccc2)cc1-c1cc(-c2ccc3c(c2)oc2cc4c(cc23)oc2cc(-c3ccc5oc6ccc(-c7ccccc7)cc6c5c3)ccc24)ccc1C
InChIInChI=1S/C58H40O3/c1-3-10-38-17-18-39(36-11-6-4-7-12-36)28-48(38)47-27-41(16-15-35(47)2)43-19-23-45-51-33-58-52(34-57(51)60-55(45)31-43)46-24-20-44(32-56(46)61-58)42-22-26-54-50(30-42)49-29-40(21-25-53(49)59-54)37-13-8-5-9-14-37/h4-9,11-34H,3,10H2,1-2H3
InChIKeyVTXYGMOWPABZMM-UHFFFAOYSA-N
XLogP16.98
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.96
LogP ≤ 516.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene with MolForge

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Related Compounds

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CID 58004021
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2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
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CID 176616854
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
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CID 166009504
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
N,N,17-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171049996
N,16-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
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Frequently Asked Questions

What is the IUPAC name of 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The IUPAC name of 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (CID 143904980) is 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.
What is the SMILES notation for 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The canonical SMILES for 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is CCCc1ccc(-c2ccccc2)cc1-c1cc(-c2ccc3c(c2)oc2cc4c(cc23)oc2cc(-c3ccc5oc6ccc(-c7ccccc7)cc6c5c3)ccc24)ccc1C.
What is the InChIKey of 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The InChIKey is VTXYGMOWPABZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40O3/c1-3-10-38-17-18-39(36-11-6-4-7-12-36)28-48(38)47-27-41(16-15-35(47)2)43-19-23-45-51-33-58-52(34-57(51)60-55(45)31-43)46-24-20-44(32-56(46)61-58)42-22-26-54-50(30-42)49-29-40(21-25-53(49)59-54)37-13-8-5-9-14-37/h4-9,11-34H,3,10H2,1-2H3.
What are the key properties of 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene has a molecular weight of 784.96 g/mol, XLogP of 16.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is sourced from PubChem (CID 143904980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).