(21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol

C27H26N2O — CID 145243588

IUPAC(21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol
SMILESC=Cc1[nH]c2c(c1/C=C\C)C(=C)Cc1ccc3[nH]c4ccccc4c3c1/C=C\2.CO
InChIInChI=1S/C26H22N2.CH4O/c1-4-8-19-21(5-2)27-23-14-12-18-17(15-16(3)25(19)23)11-13-24-26(18)20-9-6-7-10-22(20)28-24;1-2/h4-14,27-28H,2-3,15H2,1H3;2H,1H3/b8-4-,14-12-;
InChIKeyZDUBLTGKJSJODA-GJMKYKCESA-N
MW394.52 g/mol
LogP6.67
Rot. Bonds2

About (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol

(21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol (PubChem CID 145243588) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol.

Molecular Properties

Compound Name(21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol
PubChem CID145243588
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name(21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol
SMILESC=Cc1[nH]c2c(c1/C=C\C)C(=C)Cc1ccc3[nH]c4ccccc4c3c1/C=C\2.CO
InChIInChI=1S/C26H22N2.CH4O/c1-4-8-19-21(5-2)27-23-14-12-18-17(15-16(3)25(19)23)11-13-24-26(18)20-9-6-7-10-22(20)28-24;1-2/h4-14,27-28H,2-3,15H2,1H3;2H,1H3/b8-4-,14-12-;
InChIKeyZDUBLTGKJSJODA-GJMKYKCESA-N
XLogP6.67
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol with MolForge

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Related Compounds

(Z)-[(19Z)-15,16-bis(ethenyl)-22,22-dimethyl-9,17-diazapentacyclo[11.9.0.02,10.03,8.014,18]docosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaen-21-ylidene]methanol
CID 145243666
4-ethenyl-5-[(Z)-prop-1-enyl]-3,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
CID 142254198
3-ethenyl-2-[(Z)-prop-1-enyl]-6H-furo[3,2-c]carbazole
CID 145021144
(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene
CID 145241491
ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1,10-dihydropyrrolo[2,3-a]carbazole;methane
CID 145126089
4-ethenyl-8-hydroxy-5-[(Z)-prop-1-enyl]-3,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaen-10-one;methane;methanethiol
CID 142044354
24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene
CID 144681307
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
CID 143318864
ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene
CID 145243583
2-ethenyl-N,N-dinaphthalen-1-yl-3-[(Z)-prop-1-enyl]-1H-indol-5-amine
CID 143420435
9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 145125960
2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-9H-pyrrolo[2,3-b]carbazole
CID 145328023

Frequently Asked Questions

What is the IUPAC name of (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol?
The IUPAC name of (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol (CID 145243588) is (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol.
What is the SMILES notation for (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol?
The canonical SMILES for (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol is C=Cc1[nH]c2c(c1/C=C\C)C(=C)Cc1ccc3[nH]c4ccccc4c3c1/C=C\2.CO.
What is the InChIKey of (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol?
The InChIKey is ZDUBLTGKJSJODA-GJMKYKCESA-N. The full InChI is InChI=1S/C26H22N2.CH4O/c1-4-8-19-21(5-2)27-23-14-12-18-17(15-16(3)25(19)23)11-13-24-26(18)20-9-6-7-10-22(20)28-24;1-2/h4-14,27-28H,2-3,15H2,1H3;2H,1H3/b8-4-,14-12-;.
What are the key properties of (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol?
(21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol has a molecular weight of 394.52 g/mol, XLogP of 6.67, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol is sourced from PubChem (CID 145243588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).