13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C52H32O5P2 — CID 11239787

IUPAC13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESc1ccc(-p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c(Oc2ccccc2-p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c1
InChIInChI=1S/C52H32O5P2/c1-5-17-37-33(13-1)25-29-43-49(37)50-38-18-6-2-14-34(38)26-30-44(50)55-58(54-43)47-23-11-9-21-41(47)53-42-22-10-12-24-48(42)59-56-45-31-27-35-15-3-7-19-39(35)51(45)52-40-20-8-4-16-36(40)28-32-46(52)57-59/h1-32H
InChIKeyUYGCVTAJLJBNHG-UHFFFAOYSA-N
MW798.77 g/mol
LogP17.28
Rot. Bonds4

About 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 11239787) has the molecular formula C52H32O5P2 and a molecular weight of 798.77 g/mol. Its IUPAC name is 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

Compound Name13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
PubChem CID11239787
Molecular FormulaC52H32O5P2
Molecular Weight798.77 g/mol
Exact Mass798.17
IUPAC Name13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESc1ccc(-p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c(Oc2ccccc2-p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c1
InChIInChI=1S/C52H32O5P2/c1-5-17-37-33(13-1)25-29-43-49(37)50-38-18-6-2-14-34(38)26-30-44(50)55-58(54-43)47-23-11-9-21-41(47)53-42-22-10-12-24-48(42)59-56-45-31-27-35-15-3-7-19-39(35)51(45)52-40-20-8-4-16-36(40)28-32-46(52)57-59/h1-32H
InChIKeyUYGCVTAJLJBNHG-UHFFFAOYSA-N
XLogP17.28
TPSA61.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.77
LogP ≤ 517.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene with MolForge

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Related Compounds

6,6'-((3,3',5,5'-Tetrakis(1,1-dimethylethyl)(1,1'-biphenyl)-2,2'-diyl)bis(oxy))bis(dibenzo(d,f)(1,3,2)dioxaphosphepin)
CID 10963933
6,6'-[[3,3'-Bis(1,1-dimethylethyl)-5,5'-dimethoxy[1,1'-biphenyl]-2,2'-diyl]bis(oxy)]bis[dibenzo[d,f][1,3,2]dioxaphosphepin]
CID 10865829
Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, 16,17-bis(decyloxy)-
CID 172825
10,16-Bis(1-benzofuran-5-yl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 146294464
(S,S)-Kelliphite
CID 11815482
(R)-4-Phenoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10525496
Binaphos
CID 10898017
4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 12990041
13-(2-Methylphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59827441
13-(2-Phenylphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59827442
13-(2-Methoxyphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59827443
14-Phenyldibenzo[a,j]xanthenium
CID 25149108

Frequently Asked Questions

What is the IUPAC name of 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The IUPAC name of 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 11239787) is 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.
What is the SMILES notation for 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The canonical SMILES for 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is c1ccc(-p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c(Oc2ccccc2-p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c1.
What is the InChIKey of 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The InChIKey is UYGCVTAJLJBNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O5P2/c1-5-17-37-33(13-1)25-29-43-49(37)50-38-18-6-2-14-34(38)26-30-44(50)55-58(54-43)47-23-11-9-21-41(47)53-42-22-10-12-24-48(42)59-56-45-31-27-35-15-3-7-19-39(35)51(45)52-40-20-8-4-16-36(40)28-32-46(52)57-59/h1-32H.
What are the key properties of 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 798.77 g/mol, XLogP of 17.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenoxy]phenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 11239787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).