26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

C47H26N4O — CID 163441789

IUPAC26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5cccc6c7ccccc7c7cccc8oc9ccc4c(c9c87)c65)n3)ccc2c1
InChIInChI=1S/C47H26N4O/c1-3-11-29-25-31(21-19-27(29)9-1)45-48-46(32-22-20-28-10-2-4-12-30(28)26-32)50-47(49-45)51-37-17-7-15-35-33-13-5-6-14-34(33)36-16-8-18-39-42(36)44-40(52-39)24-23-38(51)43(44)41(35)37/h1-26H/b35-33-,36-34-
InChIKeyHYLARGJLYZPOHW-SGRXOXICSA-N
MW662.75 g/mol
LogP12.25
Rot. Bonds3

About 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (PubChem CID 163441789) has the molecular formula C47H26N4O and a molecular weight of 662.75 g/mol. Its IUPAC name is 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.

Molecular Properties

Compound Name26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
PubChem CID163441789
Molecular FormulaC47H26N4O
Molecular Weight662.75 g/mol
Exact Mass662.21
IUPAC Name26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5cccc6c7ccccc7c7cccc8oc9ccc4c(c9c87)c65)n3)ccc2c1
InChIInChI=1S/C47H26N4O/c1-3-11-29-25-31(21-19-27(29)9-1)45-48-46(32-22-20-28-10-2-4-12-30(28)26-32)50-47(49-45)51-37-17-7-15-35-33-13-5-6-14-34(33)36-16-8-18-39-42(36)44-40(52-39)24-23-38(51)43(44)41(35)37/h1-26H/b35-33-,36-34-
InChIKeyHYLARGJLYZPOHW-SGRXOXICSA-N
XLogP12.25
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.75
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene with MolForge

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Related Compounds

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-phenyl-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12(17),13,15,18(23),19,21-dodecaene
CID 158972416
7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166919043
26-[4-[4-(3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 166023613
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
12-(4-naphthalen-2-yl-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163618380
12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916791
26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 134221324
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
CID 129229746
32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene
CID 163458578
10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166078
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
25-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;25-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;25-phenyl-26-[4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazin-2-yl]-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 163989599

Frequently Asked Questions

What is the IUPAC name of 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The IUPAC name of 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (CID 163441789) is 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.
What is the SMILES notation for 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The canonical SMILES for 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5cccc6c7ccccc7c7cccc8oc9ccc4c(c9c87)c65)n3)ccc2c1.
What is the InChIKey of 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The InChIKey is HYLARGJLYZPOHW-SGRXOXICSA-N. The full InChI is InChI=1S/C47H26N4O/c1-3-11-29-25-31(21-19-27(29)9-1)45-48-46(32-22-20-28-10-2-4-12-30(28)26-32)50-47(49-45)51-37-17-7-15-35-33-13-5-6-14-34(33)36-16-8-18-39-42(36)44-40(52-39)24-23-38(51)43(44)41(35)37/h1-26H/b35-33-,36-34-.
What are the key properties of 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene has a molecular weight of 662.75 g/mol, XLogP of 12.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is sourced from PubChem (CID 163441789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).