5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene

C40H22N4O2 — CID 172539433

IUPAC5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
SMILESc1ccc(-c2ccc3c(c2)c2c4oc5ccccc5n5c6ccc(-c7ccccn7)cc6c(c6oc7ccccc7n3c62)c45)nc1
InChIInChI=1S/C40H22N4O2/c1-3-13-33-31(11-1)43-29-17-15-23(27-9-5-7-19-41-27)21-25(29)35-37(43)39(45-33)36-26-22-24(28-10-6-8-20-42-28)16-18-30(26)44-32-12-2-4-14-34(32)46-40(35)38(36)44/h1-22H
InChIKeyJZVAELCRBRVQJQ-UHFFFAOYSA-N
MW590.64 g/mol
LogP10.42
Rot. Bonds2

About 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene

5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene (PubChem CID 172539433) has the molecular formula C40H22N4O2 and a molecular weight of 590.64 g/mol. Its IUPAC name is 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene.

Molecular Properties

Compound Name5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
PubChem CID172539433
Molecular FormulaC40H22N4O2
Molecular Weight590.64 g/mol
Exact Mass590.17
IUPAC Name5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
SMILESc1ccc(-c2ccc3c(c2)c2c4oc5ccccc5n5c6ccc(-c7ccccn7)cc6c(c6oc7ccccc7n3c62)c45)nc1
InChIInChI=1S/C40H22N4O2/c1-3-13-33-31(11-1)43-29-17-15-23(27-9-5-7-19-41-27)21-25(29)35-37(43)39(45-33)36-26-22-24(28-10-6-8-20-42-28)16-18-30(26)44-32-12-2-4-14-34(32)46-40(35)38(36)44/h1-22H
InChIKeyJZVAELCRBRVQJQ-UHFFFAOYSA-N
XLogP10.42
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene with MolForge

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Related Compounds

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11-[4-(3,6-Difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795495
11-(1-Fluorocarbazol-9-yl)-3,4,6,16-tetramethyl-8-oxa-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171459026
5,21-Ditert-butyl-14,30-difluoro-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene
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Frequently Asked Questions

What is the IUPAC name of 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?
The IUPAC name of 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene (CID 172539433) is 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene.
What is the SMILES notation for 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?
The canonical SMILES for 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene is c1ccc(-c2ccc3c(c2)c2c4oc5ccccc5n5c6ccc(-c7ccccn7)cc6c(c6oc7ccccc7n3c62)c45)nc1.
What is the InChIKey of 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?
The InChIKey is JZVAELCRBRVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O2/c1-3-13-33-31(11-1)43-29-17-15-23(27-9-5-7-19-41-27)21-25(29)35-37(43)39(45-33)36-26-22-24(28-10-6-8-20-42-28)16-18-30(26)44-32-12-2-4-14-34(32)46-40(35)38(36)44/h1-22H.
What are the key properties of 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?
5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene has a molecular weight of 590.64 g/mol, XLogP of 10.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,21-dipyridin-2-yl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene is sourced from PubChem (CID 172539433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).