3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene

C30H17NO2 — CID 134464467

IUPAC3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene
SMILESc1ccc(-n2c3c4cccc5cccc(oc3c3oc6cccc7cccc(c76)c32)c54)cc1
InChIInChI=1S/C30H17NO2/c1-2-12-20(13-3-1)31-27-21-14-4-8-18-10-6-16-23(25(18)21)32-29(27)30-28(31)22-15-5-9-19-11-7-17-24(33-30)26(19)22/h1-17H
InChIKeyHPMYOMAXJZSYKD-UHFFFAOYSA-N
MW423.47 g/mol
LogP8.58
Rot. Bonds1

About 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene

3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene (PubChem CID 134464467) has the molecular formula C30H17NO2 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene.

Molecular Properties

Compound Name3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene
PubChem CID134464467
Molecular FormulaC30H17NO2
Molecular Weight423.47 g/mol
Exact Mass423.13
IUPAC Name3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene
SMILESc1ccc(-n2c3c4cccc5cccc(oc3c3oc6cccc7cccc(c76)c32)c54)cc1
InChIInChI=1S/C30H17NO2/c1-2-12-20(13-3-1)31-27-21-14-4-8-18-10-6-16-23(25(18)21)32-29(27)30-28(31)22-15-5-9-19-11-7-17-24(33-30)26(19)22/h1-17H
InChIKeyHPMYOMAXJZSYKD-UHFFFAOYSA-N
XLogP8.58
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene with MolForge

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Related Compounds

11-phenyl-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 143805499
15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679111
15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174350700
15-phenanthren-9-yl-18-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126679019
12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 118502832
10-phenyl-2-(6-phenylpyren-1-yl)-[1]benzofuro[3,2-b]indole
CID 171466925
9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine
CID 142336434
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
7-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828600
2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline
CID 139539216
12-phenyl-3-[3-(6-phenylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 171575602

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene?
The IUPAC name of 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene (CID 134464467) is 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene.
What is the SMILES notation for 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene?
The canonical SMILES for 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene is c1ccc(-n2c3c4cccc5cccc(oc3c3oc6cccc7cccc(c76)c32)c54)cc1.
What is the InChIKey of 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene?
The InChIKey is HPMYOMAXJZSYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17NO2/c1-2-12-20(13-3-1)31-27-21-14-4-8-18-10-6-16-23(25(18)21)32-29(27)30-28(31)22-15-5-9-19-11-7-17-24(33-30)26(19)22/h1-17H.
What are the key properties of 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene?
3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene has a molecular weight of 423.47 g/mol, XLogP of 8.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-14,17-dioxa-3-azaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene is sourced from PubChem (CID 134464467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).