6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene

C32H17N3O — CID 129092434

IUPAC6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
SMILESc1ccc(-c2ccc3nc4c5cccc6c7c8c(ccc7n(c4nc3c2)c56)oc2ccccc28)cc1
InChIInChI=1S/C32H17N3O/c1-2-7-18(8-3-1)19-13-14-23-24(17-19)34-32-30(33-23)22-11-6-10-21-28-25(35(32)31(21)22)15-16-27-29(28)20-9-4-5-12-26(20)36-27/h1-17H
InChIKeyCJWARDRWSCSDTD-UHFFFAOYSA-N
MW459.51 g/mol
LogP8.35
Rot. Bonds1

About 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene

6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene (PubChem CID 129092434) has the molecular formula C32H17N3O and a molecular weight of 459.51 g/mol. Its IUPAC name is 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene.

Molecular Properties

Compound Name6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
PubChem CID129092434
Molecular FormulaC32H17N3O
Molecular Weight459.51 g/mol
Exact Mass459.14
IUPAC Name6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
SMILESc1ccc(-c2ccc3nc4c5cccc6c7c8c(ccc7n(c4nc3c2)c56)oc2ccccc28)cc1
InChIInChI=1S/C32H17N3O/c1-2-7-18(8-3-1)19-13-14-23-24(17-19)34-32-30(33-23)22-11-6-10-21-28-25(35(32)31(21)22)15-16-27-29(28)20-9-4-5-12-26(20)36-27/h1-17H
InChIKeyCJWARDRWSCSDTD-UHFFFAOYSA-N
XLogP8.35
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene with MolForge

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Related Compounds

6-phenyl-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 129092418
14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene
CID 157071967
15-dibenzofuran-2-yl-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
CID 126577892
23-phenyl-20-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,21(26),22,24,27-tetradecaene
CID 118615738
16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
CID 126577933
4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene
CID 118930657
14-(2,3-diphenylquinoxalin-6-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 154952586
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
7-dibenzofuran-2-yl-21-thia-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4(9),5,7,10,13,15,17,19,22,24,26,28-tetradecaene
CID 129092639
11-oxa-1,21,32-triazanonacyclo[17.14.1.02,14.04,12.05,10.015,34.020,33.022,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15(34),16,18,20,22,24,26,28,30,32-hexadecaene
CID 129092585
10-oxa-1,21,32-triazanonacyclo[17.14.1.02,14.03,11.04,9.015,34.020,33.022,31.025,30]tetratriaconta-2(14),3(11),4,6,8,12,15(34),16,18,20,22(31),23,25,27,29,32-hexadecaene
CID 129092594
24-naphthalen-1-yl-20-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,21(26),22,24,27-tetradecaene
CID 129092614

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene?
The IUPAC name of 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene (CID 129092434) is 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene.
What is the SMILES notation for 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene?
The canonical SMILES for 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene is c1ccc(-c2ccc3nc4c5cccc6c7c8c(ccc7n(c4nc3c2)c56)oc2ccccc28)cc1.
What is the InChIKey of 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene?
The InChIKey is CJWARDRWSCSDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17N3O/c1-2-7-18(8-3-1)19-13-14-23-24(17-19)34-32-30(33-23)22-11-6-10-21-28-25(35(32)31(21)22)15-16-27-29(28)20-9-4-5-12-26(20)36-27/h1-17H.
What are the key properties of 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene?
6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene has a molecular weight of 459.51 g/mol, XLogP of 8.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene is sourced from PubChem (CID 129092434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).