(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

C27H24N2O — CID 145243666

IUPAC(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
SMILESC=Cc1[nH]c2c(c1C=C)-c1ccc3[nH]c4ccccc4c3c1C(C)(C)C(=C\O)/C=C\2
InChIInChI=1S/C27H24N2O/c1-5-17-20(6-2)28-22-13-11-16(15-30)27(3,4)26-19(24(17)22)12-14-23-25(26)18-9-7-8-10-21(18)29-23/h5-15,28-30H,1-2H2,3-4H3/b13-11-,16-15-
InChIKeyBMXQWDPSCHPFIS-DURLKXOLSA-N
MW392.50 g/mol
LogP7.35
Rot. Bonds2

About (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

(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 (PubChem CID 145243666) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID145243666
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name(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
SMILESC=Cc1[nH]c2c(c1C=C)-c1ccc3[nH]c4ccccc4c3c1C(C)(C)C(=C\O)/C=C\2
InChIInChI=1S/C27H24N2O/c1-5-17-20(6-2)28-22-13-11-16(15-30)27(3,4)26-19(24(17)22)12-14-23-25(26)18-9-7-8-10-21(18)29-23/h5-15,28-30H,1-2H2,3-4H3/b13-11-,16-15-
InChIKeyBMXQWDPSCHPFIS-DURLKXOLSA-N
XLogP7.35
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (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 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

(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
(11Z,13Z)-14-methyl-14-phenyl-13-(2-phenylpropylidene)-9,23-diazahexacyclo[13.11.0.02,10.03,8.016,24.017,22]hexacosa-1(15),2(10),3,5,7,11,16(24),17,19,21,25-undecaene
CID 145243697
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
[6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol
CID 174937752
prop-2-enyl 3-hydroxy-9H-carbazole-4-carboxylate
CID 132510689
4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole
CID 170091383
N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine
CID 168933151
3-ethyl-9H-carbazol-4-ol
CID 163569607
4-methoxy-3-methyl-9H-carbazole
CID 169091963
CID 66993330
CID 66993330

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=Cc1[nH]c2c(c1C=C)-c1ccc3[nH]c4ccccc4c3c1C(C)(C)C(=C\O)/C=C\2.
What is the InChIKey of (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?
The InChIKey is BMXQWDPSCHPFIS-DURLKXOLSA-N. The full InChI is InChI=1S/C27H24N2O/c1-5-17-20(6-2)28-22-13-11-16(15-30)27(3,4)26-19(24(17)22)12-14-23-25(26)18-9-7-8-10-21(18)29-23/h5-15,28-30H,1-2H2,3-4H3/b13-11-,16-15-.
What are the key properties of (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?
(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 has a molecular weight of 392.50 g/mol, XLogP of 7.35, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 145243666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).