19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene

C25H14N2O — CID 165161281

IUPAC19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene
SMILESc1ccc(-c2nccc3oc4c5cccc6c7ccccc7n(c65)c4c23)cc1
InChIInChI=1S/C25H14N2O/c1-2-7-15(8-3-1)22-21-20(13-14-26-22)28-25-18-11-6-10-17-16-9-4-5-12-19(16)27(23(17)18)24(21)25/h1-14H
InChIKeyBCLSCDJBTSMUSC-UHFFFAOYSA-N
MW358.40 g/mol
LogP6.64
Rot. Bonds1

About 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene

19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene (PubChem CID 165161281) has the molecular formula C25H14N2O and a molecular weight of 358.40 g/mol. Its IUPAC name is 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene.

Molecular Properties

Compound Name19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene
PubChem CID165161281
Molecular FormulaC25H14N2O
Molecular Weight358.40 g/mol
Exact Mass358.11
IUPAC Name19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene
SMILESc1ccc(-c2nccc3oc4c5cccc6c7ccccc7n(c65)c4c23)cc1
InChIInChI=1S/C25H14N2O/c1-2-7-15(8-3-1)22-21-20(13-14-26-22)28-25-18-11-6-10-17-16-9-4-5-12-19(16)27(23(17)18)24(21)25/h1-14H
InChIKeyBCLSCDJBTSMUSC-UHFFFAOYSA-N
XLogP6.64
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 122471130
12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene
CID 168728530
8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153065861
1-[3-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 129124615
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
29-methyl-9-oxa-1,29-diazaoctacyclo[13.12.1.120,23.02,10.03,8.011,28.016,21.022,27]nonacosa-2(10),3,5,7,11,13,15(28),16(21),17,19,22,24,26-tridecaene
CID 163436695
2-[1-(1,10-diazaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaen-10-yl)dibenzofuran-4-yl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 155158891
29-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-1,29-diazaoctacyclo[13.12.1.114,17.02,10.03,8.011,28.016,21.022,27]nonacosa-2(10),3,5,7,11(28),12,14,16(21),17,19,22,24,26-tridecaene
CID 174284400
3-[3-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176758725
2-[4-(1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaen-11-yl)dibenzofuran-1-yl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 155158885
4,23-dioxa-1,20-diazaundecacyclo[19.17.1.12,13.03,11.05,10.014,19.022,30.024,29.032,39.033,38.020,40]tetraconta-2(40),3(11),5,7,9,12,14,16,18,21(39),22(30),24,26,28,31,33,35,37-octadecaene
CID 171595148
11-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513198

Frequently Asked Questions

What is the IUPAC name of 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene?
The IUPAC name of 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene (CID 165161281) is 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene.
What is the SMILES notation for 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene?
The canonical SMILES for 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene is c1ccc(-c2nccc3oc4c5cccc6c7ccccc7n(c65)c4c23)cc1.
What is the InChIKey of 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene?
The InChIKey is BCLSCDJBTSMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2O/c1-2-7-15(8-3-1)22-21-20(13-14-26-22)28-25-18-11-6-10-17-16-9-4-5-12-19(16)27(23(17)18)24(21)25/h1-14H.
What are the key properties of 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene?
19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene has a molecular weight of 358.40 g/mol, XLogP of 6.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene is sourced from PubChem (CID 165161281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).