12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene

C24H16N2O2 — CID 142357531

IUPAC12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene
SMILESC=CC1=C2C(=C)Oc3ccccc3N2c2cc3c(cc2O1)[nH]c1ccccc13
InChIInChI=1S/C24H16N2O2/c1-3-21-24-14(2)27-22-11-7-6-10-19(22)26(24)20-12-16-15-8-4-5-9-17(15)25-18(16)13-23(20)28-21/h3-13,25H,1-2H2
InChIKeyNFUKSCFUXNDREE-UHFFFAOYSA-N
MW364.40 g/mol
LogP6.16
Rot. Bonds1

About 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene

12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene (PubChem CID 142357531) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene.

Molecular Properties

Compound Name12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene
PubChem CID142357531
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene
SMILESC=CC1=C2C(=C)Oc3ccccc3N2c2cc3c(cc2O1)[nH]c1ccccc13
InChIInChI=1S/C24H16N2O2/c1-3-21-24-14(2)27-22-11-7-6-10-19(22)26(24)20-12-16-15-8-4-5-9-17(15)25-18(16)13-23(20)28-21/h3-13,25H,1-2H2
InChIKeyNFUKSCFUXNDREE-UHFFFAOYSA-N
XLogP6.16
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
CID 126567892
10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine
CID 163464448
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
CID 145243713
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine
CID 145125517
4,11-dioxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene
CID 134178969
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane
CID 145383928
2,3-bis(ethenyl)-1,4-benzodioxine;ethane
CID 144875800
9H-carbazole
CID 66668984
5-ethenyl-11-(5-ethenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 129291402
molecular hydrogen;spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 145314157
2-ethenyl-4H-thieno[2,3-b]indole
CID 177063992

Frequently Asked Questions

What is the IUPAC name of 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene?
The IUPAC name of 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene (CID 142357531) is 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene.
What is the SMILES notation for 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene?
The canonical SMILES for 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene is C=CC1=C2C(=C)Oc3ccccc3N2c2cc3c(cc2O1)[nH]c1ccccc13.
What is the InChIKey of 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene?
The InChIKey is NFUKSCFUXNDREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c1-3-21-24-14(2)27-22-11-7-6-10-19(22)26(24)20-12-16-15-8-4-5-9-17(15)25-18(16)13-23(20)28-21/h3-13,25H,1-2H2.
What are the key properties of 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene?
12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene has a molecular weight of 364.40 g/mol, XLogP of 6.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethenyl-10-methylidene-9,13-dioxa-2,17-diazahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),3,5,7,11,15,18,20,22,24-decaene is sourced from PubChem (CID 142357531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).