6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide

C24H15O3P — CID 177415042

IUPAC6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
SMILESO=P12c3ccccc3Oc3cccc(c31)Oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C24H15O3P/c25-28-21-14-5-4-11-18(21)26-19-12-7-13-20(24(19)28)27-23-17(10-6-15-22(23)28)16-8-2-1-3-9-16/h1-15H
InChIKeyLJDFEXBMYMXJCT-UHFFFAOYSA-N
MW382.36 g/mol
LogP5.20
Rot. Bonds1

About 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide

6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide (PubChem CID 177415042) has the molecular formula C24H15O3P and a molecular weight of 382.36 g/mol. Its IUPAC name is 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide.

Molecular Properties

Compound Name6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
PubChem CID177415042
Molecular FormulaC24H15O3P
Molecular Weight382.36 g/mol
Exact Mass382.08
IUPAC Name6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
SMILESO=P12c3ccccc3Oc3cccc(c31)Oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C24H15O3P/c25-28-21-14-5-4-11-18(21)26-19-12-7-13-20(24(19)28)27-23-17(10-6-15-22(23)28)16-8-2-1-3-9-16/h1-15H
InChIKeyLJDFEXBMYMXJCT-UHFFFAOYSA-N
XLogP5.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide with MolForge

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Related Compounds

7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide
CID 159047296
5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide
CID 118219678
4,10,12-triphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118313694
10-(4-pyridin-3-ylphenyl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220079
10,12-bis(2-methylphenyl)-6,16-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
CID 118219928
4-(4-dibenzofuran-4-ylphenyl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220229
10-[3-[3-(1-oxo-10,12,17-triphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]phenyl]-4,12,18-triphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide
CID 146325130
12-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 129229617
10-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220321
23-carbazol-9-yl-20,26-dioxa-1λ5-phosphaoctacyclo[19.11.1.02,19.05,18.06,11.012,17.025,33.027,32]tritriaconta-2(19),3,5(18),6,8,10,12,14,16,21,23,25(33),27,29,31-pentadecaene 1-oxide
CID 118220271
11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220322
5,17-bis(3-dibenzothiophen-4-ylphenyl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide
CID 118219727

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
The IUPAC name of 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide (CID 177415042) is 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide.
What is the SMILES notation for 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
The canonical SMILES for 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide is O=P12c3ccccc3Oc3cccc(c31)Oc1c(-c3ccccc3)cccc12.
What is the InChIKey of 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
The InChIKey is LJDFEXBMYMXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15O3P/c25-28-21-14-5-4-11-18(21)26-19-12-7-13-20(24(19)28)27-23-17(10-6-15-22(23)28)16-8-2-1-3-9-16/h1-15H.
What are the key properties of 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide has a molecular weight of 382.36 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide is sourced from PubChem (CID 177415042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).