17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene

C37H22N2O — CID 171043755

IUPAC17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene
SMILESc1cc2cc(c1)c1cccc3c4cccc(c4oc13)c1nc3ccccc3n1c1cccc(c1)c1ccccc21
InChIInChI=1S/C37H22N2O/c1-2-14-28-25-11-6-12-26(22-25)39-34-20-4-3-19-33(34)38-37(39)32-18-8-17-31-30-16-7-15-29(35(30)40-36(31)32)24-10-5-9-23(21-24)27(28)13-1/h1-22H
InChIKeyYPUBMEBRYNRBDE-UHFFFAOYSA-N
MW510.60 g/mol
LogP10.12
Rot. Bonds

About 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene

17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene (PubChem CID 171043755) has the molecular formula C37H22N2O and a molecular weight of 510.60 g/mol. Its IUPAC name is 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene.

Molecular Properties

Compound Name17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene
PubChem CID171043755
Molecular FormulaC37H22N2O
Molecular Weight510.60 g/mol
Exact Mass510.17
IUPAC Name17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene
SMILESc1cc2cc(c1)c1cccc3c4cccc(c4oc13)c1nc3ccccc3n1c1cccc(c1)c1ccccc21
InChIInChI=1S/C37H22N2O/c1-2-14-28-25-11-6-12-26(22-25)39-34-20-4-3-19-33(34)38-37(39)32-18-8-17-31-30-16-7-15-29(35(30)40-36(31)32)24-10-5-9-23(21-24)27(28)13-1/h1-22H
InChIKeyYPUBMEBRYNRBDE-UHFFFAOYSA-N
XLogP10.12
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene with MolForge

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Related Compounds

18-oxa-2,9-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),3,5,7,9,11,13,15,19(28),20,22,24,26-tridecaene
CID 176752880
9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 129128192
9,12-dimethyl-17-oxa-2-aza-9-azonianonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene
CID 171043696
11-phenanthren-9-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037741
6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 138980951
2,9,17-triazaheptacyclo[15.10.1.02,10.03,8.011,16.018,23.024,28]octacosa-1(27),3,5,7,9,11,13,15,18,20,22,24(28),25-tridecaene
CID 164734138
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128031
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128279
11-bromo-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 90432258
13-phenanthren-9-yl-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 89392148
7-(9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaen-5-yl)phenanthrene-2-carbonitrile
CID 129128035
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944

Frequently Asked Questions

What is the IUPAC name of 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene?
The IUPAC name of 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene (CID 171043755) is 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene.
What is the SMILES notation for 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene?
The canonical SMILES for 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene is c1cc2cc(c1)c1cccc3c4cccc(c4oc13)c1nc3ccccc3n1c1cccc(c1)c1ccccc21.
What is the InChIKey of 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene?
The InChIKey is YPUBMEBRYNRBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O/c1-2-14-28-25-11-6-12-26(22-25)39-34-20-4-3-19-33(34)38-37(39)32-18-8-17-31-30-16-7-15-29(35(30)40-36(31)32)24-10-5-9-23(21-24)27(28)13-1/h1-22H.
What are the key properties of 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene?
17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene has a molecular weight of 510.60 g/mol, XLogP of 10.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-oxa-2,9-diazanonacyclo[33.3.1.124,28.02,10.03,8.011,16.015,19.018,23.029,34]tetraconta-1(38),3,5,7,9,11,13,15,18(23),19,21,24,26,28(40),29,31,33,35(39),36-nonadecaene is sourced from PubChem (CID 171043755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).