5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C48H27O4P — CID 144879122

IUPAC5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESc1ccc(-c2cc3c4c(c2)Oc2cc(-c5cccc6c5oc5ccccc56)ccc2P4c2ccc(-c4cccc5c4oc4ccccc45)cc2O3)cc1
InChIInChI=1S/C48H27O4P/c1-2-10-28(11-3-1)31-26-42-48-43(27-31)50-41-25-30(33-15-9-17-37-35-13-5-7-19-39(35)52-47(33)37)21-23-45(41)53(48)44-22-20-29(24-40(44)49-42)32-14-8-16-36-34-12-4-6-18-38(34)51-46(32)36/h1-27H
InChIKeySDGDKKJODSREKF-UHFFFAOYSA-N
MW698.71 g/mol
LogP12.46
Rot. Bonds3

About 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 144879122) has the molecular formula C48H27O4P and a molecular weight of 698.71 g/mol. Its IUPAC name is 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID144879122
Molecular FormulaC48H27O4P
Molecular Weight698.71 g/mol
Exact Mass698.16
IUPAC Name5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESc1ccc(-c2cc3c4c(c2)Oc2cc(-c5cccc6c5oc5ccccc56)ccc2P4c2ccc(-c4cccc5c4oc4ccccc45)cc2O3)cc1
InChIInChI=1S/C48H27O4P/c1-2-10-28(11-3-1)31-26-42-48-43(27-31)50-41-25-30(33-15-9-17-37-35-13-5-7-19-39(35)52-47(33)37)21-23-45(41)53(48)44-22-20-29(24-40(44)49-42)32-14-8-16-36-34-12-4-6-18-38(34)51-46(32)36/h1-27H
InChIKeySDGDKKJODSREKF-UHFFFAOYSA-N
XLogP12.46
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.71
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

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7-[3-(3,5-diphenylphenyl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
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Frequently Asked Questions

What is the IUPAC name of 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 144879122) is 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is c1ccc(-c2cc3c4c(c2)Oc2cc(-c5cccc6c5oc5ccccc56)ccc2P4c2ccc(-c4cccc5c4oc4ccccc45)cc2O3)cc1.
What is the InChIKey of 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is SDGDKKJODSREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27O4P/c1-2-10-28(11-3-1)31-26-42-48-43(27-31)50-41-25-30(33-15-9-17-37-35-13-5-7-19-39(35)52-47(33)37)21-23-45(41)53(48)44-22-20-29(24-40(44)49-42)32-14-8-16-36-34-12-4-6-18-38(34)51-46(32)36/h1-27H.
What are the key properties of 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 698.71 g/mol, XLogP of 12.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 144879122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).