22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

C24H14NO2P — CID 134317568

IUPAC22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESc1ccc(N2c3cccc4c3P3c5c(cccc5Oc5cccc2c53)O4)cc1
InChIInChI=1S/C24H14NO2P/c1-2-7-15(8-3-1)25-16-9-4-11-18-22(16)28-23-17(25)10-5-12-19(23)27-21-14-6-13-20(26-18)24(21)28/h1-14H
InChIKeyWHHFYJWUOVFPFN-UHFFFAOYSA-N
MW379.36 g/mol
LogP5.44
Rot. Bonds1

About 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 134317568) has the molecular formula C24H14NO2P and a molecular weight of 379.36 g/mol. Its IUPAC name is 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
PubChem CID134317568
Molecular FormulaC24H14NO2P
Molecular Weight379.36 g/mol
Exact Mass379.08
IUPAC Name22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESc1ccc(N2c3cccc4c3P3c5c(cccc5Oc5cccc2c53)O4)cc1
InChIInChI=1S/C24H14NO2P/c1-2-7-15(8-3-1)25-16-9-4-11-18-22(16)28-23-17(25)10-5-12-19(23)27-21-14-6-13-20(26-18)24(21)28/h1-14H
InChIKeyWHHFYJWUOVFPFN-UHFFFAOYSA-N
XLogP5.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene with MolForge

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Related Compounds

ethane;10-phenylphenoxazine
CID 123756019
22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 118049683
14,22-diphenyl-8-oxa-14,22-diaza-1-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140849245
19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene
CID 158487110
1,1-difluoro-22-phenyl-8,14-dioxa-22-aza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140848779
1,1-dimethyl-22-phenyl-8,14-dioxa-22-aza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140848985
1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140848716
22,30-diphenyl-11,16-dioxa-22,30-diaza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene
CID 166568329
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
CID 154595373
CID 154595373
10-[2-(2-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenyl]-5-phenylbenzo[b][1,4]benzazaborinine
CID 165160537
12,28,38-triphenyl-18,22,32-trioxa-12,28,38-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene
CID 169037856

Frequently Asked Questions

What is the IUPAC name of 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 134317568) is 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is c1ccc(N2c3cccc4c3P3c5c(cccc5Oc5cccc2c53)O4)cc1.
What is the InChIKey of 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is WHHFYJWUOVFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14NO2P/c1-2-7-15(8-3-1)25-16-9-4-11-18-22(16)28-23-17(25)10-5-12-19(23)27-21-14-6-13-20(26-18)24(21)28/h1-14H.
What are the key properties of 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 379.36 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 134317568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).