24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene

C40H30N2O — CID 167226183

IUPAC24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene
SMILESC=C/C1=N/C(=C)CC2c3c([nH]c4ccccc34)-c3ccccc3C2CCc2ccc3c(oc4c5ccccc5ccc34)c21
InChIInChI=1S/C40H30N2O/c1-3-34-36-25(18-21-31-30-20-16-24-10-4-5-11-26(24)39(30)43-40(31)36)17-19-28-27-12-6-7-13-29(27)38-37(33(28)22-23(2)41-34)32-14-8-9-15-35(32)42-38/h3-16,18,20-21,28,33,42H,1-2,17,19,22H2/b41-34-
InChIKeyJENMTBQSSHIMMR-HSRGEJEPSA-N
MW554.69 g/mol
LogP10.59
Rot. Bonds1

About 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene

24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene (PubChem CID 167226183) has the molecular formula C40H30N2O and a molecular weight of 554.69 g/mol. Its IUPAC name is 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene.

Molecular Properties

Compound Name24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene
PubChem CID167226183
Molecular FormulaC40H30N2O
Molecular Weight554.69 g/mol
Exact Mass554.24
IUPAC Name24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene
SMILESC=C/C1=N/C(=C)CC2c3c([nH]c4ccccc34)-c3ccccc3C2CCc2ccc3c(oc4c5ccccc5ccc34)c21
InChIInChI=1S/C40H30N2O/c1-3-34-36-25(18-21-31-30-20-16-24-10-4-5-11-26(24)39(30)43-40(31)36)17-19-28-27-12-6-7-13-29(27)38-37(33(28)22-23(2)41-34)32-14-8-9-15-35(32)42-38/h3-16,18,20-21,28,33,42H,1-2,17,19,22H2/b41-34-
InChIKeyJENMTBQSSHIMMR-HSRGEJEPSA-N
XLogP10.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 510.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene?
The IUPAC name of 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene (CID 167226183) is 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene.
What is the SMILES notation for 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene?
The canonical SMILES for 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene is C=C/C1=N/C(=C)CC2c3c([nH]c4ccccc34)-c3ccccc3C2CCc2ccc3c(oc4c5ccccc5ccc34)c21.
What is the InChIKey of 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene?
The InChIKey is JENMTBQSSHIMMR-HSRGEJEPSA-N. The full InChI is InChI=1S/C40H30N2O/c1-3-34-36-25(18-21-31-30-20-16-24-10-4-5-11-26(24)39(30)43-40(31)36)17-19-28-27-12-6-7-13-29(27)38-37(33(28)22-23(2)41-34)32-14-8-9-15-35(32)42-38/h3-16,18,20-21,28,33,42H,1-2,17,19,22H2/b41-34-.
What are the key properties of 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene?
24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene has a molecular weight of 554.69 g/mol, XLogP of 10.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-ethenyl-22-methylidene-27-oxa-12,23-diazanonacyclo[23.15.0.04,20.05,10.011,19.013,18.026,38.028,37.029,34]tetraconta-1(25),5,7,9,11(19),13,15,17,23,26(38),28(37),29,31,33,35,39-hexadecaene is sourced from PubChem (CID 167226183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).