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

C25H15NO2 — CID 118049683

IUPAC22-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
SMILESc1ccc(N2c3cccc4c3C3c5c(cccc5Oc5cccc2c53)O4)cc1
InChIInChI=1S/C25H15NO2/c1-2-7-15(8-3-1)26-16-9-4-11-18-22(16)25-23-17(26)10-5-12-19(23)28-21-14-6-13-20(27-18)24(21)25/h1-14,25H
InChIKeyUFPLCKQLEJHCEI-UHFFFAOYSA-N
MW361.40 g/mol
LogP6.86
Rot. Bonds1

About 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

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 (PubChem CID 118049683) has the molecular formula C25H15NO2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name22-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
PubChem CID118049683
Molecular FormulaC25H15NO2
Molecular Weight361.40 g/mol
Exact Mass361.11
IUPAC Name22-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
SMILESc1ccc(N2c3cccc4c3C3c5c(cccc5Oc5cccc2c53)O4)cc1
InChIInChI=1S/C25H15NO2/c1-2-7-15(8-3-1)26-16-9-4-11-18-22(16)25-23-17(26)10-5-12-19(23)28-21-14-6-13-20(27-18)24(21)25/h1-14,25H
InChIKeyUFPLCKQLEJHCEI-UHFFFAOYSA-N
XLogP6.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

3-(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-nonaen-22-yl)phenol hexafluorophosphate
CID 160910762
2-(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-nonaen-22-yl)phenol hexafluorophosphate
CID 162331143
ethane;10-phenylphenoxazine
CID 123756019
5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-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 154978226
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
22-(1-methylpyrrol-2-yl)-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 122519197
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
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
5,10-bis(8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenazine
CID 171720790
10-[2-(2-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenyl]-5-phenylbenzo[b][1,4]benzazaborinine
CID 165160537

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N2c3cccc4c3C3c5c(cccc5Oc5cccc2c53)O4)cc1.
What is the InChIKey of 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?
The InChIKey is UFPLCKQLEJHCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO2/c1-2-7-15(8-3-1)26-16-9-4-11-18-22(16)25-23-17(26)10-5-12-19(23)28-21-14-6-13-20(27-18)24(21)25/h1-14,25H.
What are the key properties of 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?
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 has a molecular weight of 361.40 g/mol, XLogP of 6.86, 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-azahexacyclo[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 118049683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).