(20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene

C33H24N2O — CID 145326909

IUPAC(20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene
SMILESC=CCc1cccc(N2/C=C\C=C/C(=C)c3c2cc2c4c3c3ccccc3n4-c3ccccc3O2)c1
InChIInChI=1S/C33H24N2O/c1-3-11-23-13-10-14-24(20-23)34-19-9-8-12-22(2)31-28(34)21-30-33-32(31)25-15-4-5-16-26(25)35(33)27-17-6-7-18-29(27)36-30/h3-10,12-21H,1-2,11H2/b12-8-,19-9-
InChIKeyOTDSUFKVIVDGIN-BNGPGWPZSA-N
MW464.57 g/mol
LogP8.85
Rot. Bonds3

About (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene

(20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene (PubChem CID 145326909) has the molecular formula C33H24N2O and a molecular weight of 464.57 g/mol. Its IUPAC name is (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene.

Molecular Properties

Compound Name(20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene
PubChem CID145326909
Molecular FormulaC33H24N2O
Molecular Weight464.57 g/mol
Exact Mass464.19
IUPAC Name(20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene
SMILESC=CCc1cccc(N2/C=C\C=C/C(=C)c3c2cc2c4c3c3ccccc3n4-c3ccccc3O2)c1
InChIInChI=1S/C33H24N2O/c1-3-11-23-13-10-14-24(20-23)34-19-9-8-12-22(2)31-28(34)21-30-33-32(31)25-15-4-5-16-26(25)35(33)27-17-6-7-18-29(27)36-30/h3-10,12-21H,1-2,11H2/b12-8-,19-9-
InChIKeyOTDSUFKVIVDGIN-BNGPGWPZSA-N
XLogP8.85
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene with MolForge

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Related Compounds

10-(3-carbazol-9-ylphenyl)-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 164795408
9-(3-carbazol-9-yl-5-prop-2-enylphenyl)carbazole
CID 139517953
(4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine
CID 174254357
9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 167043312
5-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795226
9-phenyl-3-prop-2-enylcarbazole
CID 123281501
5-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795199
9-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 164795287
ethane;6-[2-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 176936679
(2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine
CID 118860537
15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469089
3-(3-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795494

Frequently Asked Questions

What is the IUPAC name of (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene?
The IUPAC name of (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene (CID 145326909) is (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene.
What is the SMILES notation for (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene?
The canonical SMILES for (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene is C=CCc1cccc(N2/C=C\C=C/C(=C)c3c2cc2c4c3c3ccccc3n4-c3ccccc3O2)c1.
What is the InChIKey of (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene?
The InChIKey is OTDSUFKVIVDGIN-BNGPGWPZSA-N. The full InChI is InChI=1S/C33H24N2O/c1-3-11-23-13-10-14-24(20-23)34-19-9-8-12-22(2)31-28(34)21-30-33-32(31)25-15-4-5-16-26(25)35(33)27-17-6-7-18-29(27)36-30/h3-10,12-21H,1-2,11H2/b12-8-,19-9-.
What are the key properties of (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene?
(20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene has a molecular weight of 464.57 g/mol, XLogP of 8.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene is sourced from PubChem (CID 145326909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).