21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide

C46H27O3P — CID 118220250

IUPAC21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide
SMILESO=P12c3ccc(-c4ccccc4)cc3Oc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(c31)Oc1ccc3ccccc3c12
InChIInChI=1S/C46H27O3P/c47-50-44-23-20-31(28-10-2-1-3-11-28)25-41(44)49-43-27-32(26-42(46(43)50)48-40-22-19-29-12-4-5-13-33(29)45(40)50)30-18-21-38-36-16-7-6-14-34(36)35-15-8-9-17-37(35)39(38)24-30/h1-27H
InChIKeyGTQBBXRGSKLBQO-UHFFFAOYSA-N
MW658.69 g/mol
LogP11.48
Rot. Bonds2

About 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide

21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide (PubChem CID 118220250) has the molecular formula C46H27O3P and a molecular weight of 658.69 g/mol. Its IUPAC name is 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide.

Molecular Properties

Compound Name21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide
PubChem CID118220250
Molecular FormulaC46H27O3P
Molecular Weight658.69 g/mol
Exact Mass658.17
IUPAC Name21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide
SMILESO=P12c3ccc(-c4ccccc4)cc3Oc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(c31)Oc1ccc3ccccc3c12
InChIInChI=1S/C46H27O3P/c47-50-44-23-20-31(28-10-2-1-3-11-28)25-41(44)49-43-27-32(26-42(46(43)50)48-40-22-19-29-12-4-5-13-33(29)45(40)50)30-18-21-38-36-16-7-6-14-34(36)35-15-8-9-17-37(35)39(38)24-30/h1-27H
InChIKeyGTQBBXRGSKLBQO-UHFFFAOYSA-N
XLogP11.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.69
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide with MolForge

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Related Compounds

14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide
CID 118220255
15-naphthalen-1-yl-12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene 1-oxide
CID 118219693
15-phenyl-1-sulfanylidene-12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
CID 118220294
8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide
CID 160743650
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
5,10-diphenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 134958577
15-(3,5-diphenylphenyl)-1-sulfanylidene-12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
CID 118219945
3,9-bis(3,5-diphenylphenyl)chrysene
CID 123616351
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
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
10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide
CID 153291842
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257

Frequently Asked Questions

What is the IUPAC name of 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide?
The IUPAC name of 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide (CID 118220250) is 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide.
What is the SMILES notation for 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide?
The canonical SMILES for 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide is O=P12c3ccc(-c4ccccc4)cc3Oc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(c31)Oc1ccc3ccccc3c12.
What is the InChIKey of 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide?
The InChIKey is GTQBBXRGSKLBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27O3P/c47-50-44-23-20-31(28-10-2-1-3-11-28)25-41(44)49-43-27-32(26-42(46(43)50)48-40-22-19-29-12-4-5-13-33(29)45(40)50)30-18-21-38-36-16-7-6-14-34(36)35-15-8-9-17-37(35)39(38)24-30/h1-27H.
What are the key properties of 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide?
21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide has a molecular weight of 658.69 g/mol, XLogP of 11.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 21-phenyl-15-triphenylen-2-yl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19(24),20,22-undecaene 1-oxide is sourced from PubChem (CID 118220250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).