(14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol

C32H50N2O — CID 11420200

IUPAC(14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol
SMILESOC1/C=C\C=C/CCN2CC3C=C4CCCCCCCCCC/C=C/CCN5CCC3C(C1)(C5)C42
InChIInChI=1S/C32H50N2O/c35-29-18-14-10-12-16-21-34-25-28-23-27-17-13-9-7-5-3-1-2-4-6-8-11-15-20-33-22-19-30(28)32(24-29,26-33)31(27)34/h8,10-12,14,18,23,28-31,35H,1-7,9,13,15-17,19-22,24-26H2/b11-8+,12-10-,18-14-
InChIKeyWBCLIGFNMAKNES-HYPVEDSNSA-N
MW478.77 g/mol
LogP6.66
Rot. Bonds

About (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol

(14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol (PubChem CID 11420200) has the molecular formula C32H50N2O and a molecular weight of 478.77 g/mol. Its IUPAC name is (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol.

Molecular Properties

Compound Name(14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol
PubChem CID11420200
Molecular FormulaC32H50N2O
Molecular Weight478.77 g/mol
Exact Mass478.39
IUPAC Name(14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol
SMILESOC1/C=C\C=C/CCN2CC3C=C4CCCCCCCCCC/C=C/CCN5CCC3C(C1)(C5)C42
InChIInChI=1S/C32H50N2O/c35-29-18-14-10-12-16-21-34-25-28-23-27-17-13-9-7-5-3-1-2-4-6-8-11-15-20-33-22-19-30(28)32(24-29,26-33)31(27)34/h8,10-12,14,18,23,28-31,35H,1-7,9,13,15-17,19-22,24-26H2/b11-8+,12-10-,18-14-
InChIKeyWBCLIGFNMAKNES-HYPVEDSNSA-N
XLogP6.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.77
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol with MolForge

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Related Compounds

9H,11H-1,13-Methano-10,15-[3]tetradeceno-2H-azecino[2,3-i]isoquinolin-7-ol, 7,8,12,12a,13,15a-hexahydro-, (3Z,5Z,26Z)-
CID 16728497
Ingenamine G
CID 21777811
(1R,2S,3S,10Z,16R,22E,27S)-5,18-diazapentacyclo[12.12.1.11,5.02,16.018,27]octacosa-10,14,22-trien-3-ol
CID 101185845
(1R,2R,14Z,21R,22R,27E,29Z,31S)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol
CID 162956144
(1S,2R,6E,9Z,12E,18S,19R,20R,27E)-16,22-diazapentacyclo[14.14.1.13,20.01,19.02,22]dotriaconta-3(32),6,9,12,27-pentaen-18-ol
CID 162966274
dihydroingenamine D
CID 163052510
(1R,3R,10Z,23Z,27R)-5,18-diazapentacyclo[12.12.1.11,5.02,16.018,27]octacosa-10,14,23-trien-3-ol
CID 155931158
(1S,2R,3R,10Z,16S,23Z,27R)-5,18-diazapentacyclo[12.12.1.11,5.02,16.018,27]octacosa-10,14,23-trien-3-ol
CID 21729212
(1S,2R,3S,10Z,16S,23Z,27R)-5,18-diazapentacyclo[12.12.1.11,5.02,16.018,27]octacosa-10,14,23-trien-3-ol
CID 153274287
(3S,10Z,16S,23Z,27R)-5,18-diazapentacyclo[12.12.1.11,5.02,16.018,27]octacosa-10,14,23-trien-3-ol
CID 10023687
(1S,2R,6Z,9Z,12Z,18S,19S,20S,27Z)-16,22-diazapentacyclo[14.14.1.13,20.01,19.02,22]dotriaconta-3(32),6,9,12,27-pentaen-18-ol
CID 10411402
(1S,2R,14Z,21R,22S,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol
CID 11317573

Frequently Asked Questions

What is the IUPAC name of (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol?
The IUPAC name of (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol (CID 11420200) is (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol.
What is the SMILES notation for (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol?
The canonical SMILES for (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol is OC1/C=C\C=C/CCN2CC3C=C4CCCCCCCCCC/C=C/CCN5CCC3C(C1)(C5)C42.
What is the InChIKey of (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol?
The InChIKey is WBCLIGFNMAKNES-HYPVEDSNSA-N. The full InChI is InChI=1S/C32H50N2O/c35-29-18-14-10-12-16-21-34-25-28-23-27-17-13-9-7-5-3-1-2-4-6-8-11-15-20-33-22-19-30(28)32(24-29,26-33)31(27)34/h8,10-12,14,18,23,28-31,35H,1-7,9,13,15-17,19-22,24-26H2/b11-8+,12-10-,18-14-.
What are the key properties of (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol?
(14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol has a molecular weight of 478.77 g/mol, XLogP of 6.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (14E,27Z,29Z)-18,24-diazapentacyclo[16.14.1.13,22.01,21.02,24]tetratriaconta-3(34),14,27,29-tetraen-31-ol is sourced from PubChem (CID 11420200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).