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

C36H21O3P — CID 118219693

IUPAC15-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
SMILESO=P12c3c(cc(-c4cccc5ccccc45)cc3Oc3ccc4ccccc4c31)Oc1ccc3ccccc3c12
InChIInChI=1S/C36H21O3P/c37-40-34-28-13-5-2-9-23(28)16-18-30(34)38-32-20-25(27-15-7-11-22-8-1-4-12-26(22)27)21-33(36(32)40)39-31-19-17-24-10-3-6-14-29(24)35(31)40/h1-21H
InChIKeyYKQCZTKHXZXEQF-UHFFFAOYSA-N
MW532.54 g/mol
LogP8.66
Rot. Bonds1

About 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

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 (PubChem CID 118219693) has the molecular formula C36H21O3P and a molecular weight of 532.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-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
PubChem CID118219693
Molecular FormulaC36H21O3P
Molecular Weight532.54 g/mol
Exact Mass532.12
IUPAC Name15-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
SMILESO=P12c3c(cc(-c4cccc5ccccc45)cc3Oc3ccc4ccccc4c31)Oc1ccc3ccccc3c12
InChIInChI=1S/C36H21O3P/c37-40-34-28-13-5-2-9-23(28)16-18-30(34)38-32-20-25(27-15-7-11-22-8-1-4-12-26(22)27)21-33(36(32)40)39-31-19-17-24-10-3-6-14-29(24)35(31)40/h1-21H
InChIKeyYKQCZTKHXZXEQF-UHFFFAOYSA-N
XLogP8.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.54
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

21-methyl-15-naphthalen-1-yl-1-sulfanylidene-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
CID 118219706
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
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
5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 71211364
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
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
14-(10-naphthalen-1-ylanthracen-9-yl)-5-[4-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 166710546
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CID 134166054
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
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CID 2748705
1-[3-naphthalen-2-yl-5-[4-[4-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]naphthalene
CID 18710973
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P12c3c(cc(-c4cccc5ccccc45)cc3Oc3ccc4ccccc4c31)Oc1ccc3ccccc3c12.
What is the InChIKey of 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?
The InChIKey is YKQCZTKHXZXEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21O3P/c37-40-34-28-13-5-2-9-23(28)16-18-30(34)38-32-20-25(27-15-7-11-22-8-1-4-12-26(22)27)21-33(36(32)40)39-31-19-17-24-10-3-6-14-29(24)35(31)40/h1-21H.
What are the key properties of 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?
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 has a molecular weight of 532.54 g/mol, XLogP of 8.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118219693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).