(6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene

C64H112N4 — CID 134817105

IUPAC(6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene
SMILESC1=C\CCCCN2C[C@@H]3CCCC/C=C\CCCCN4CC[C@H]([C@H](CCCCCC/1)C4)[C@H](C3)C2.C1=C\CCCC[C@@H]2CN3CCCC/C=C\CCCC[C@@H]4C[C@H](CN(CCCCCC/1)C4)[C@@H]2CC3
InChIInChI=1S/2C32H56N2/c2*1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h2,4-6,29-32H,1,3,7-28H2;1,3-4,6,29-32H,2,5,7-28H2/b5-2-,6-4-;3-1-,6-4-/t2*29-,30-,31-,32-/m11/s1
InChIKeyZQUIBROMXYIZJF-PKFSWBCKSA-N
MW937.63 g/mol
LogP16.49
Rot. Bonds

About (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene

(6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene (PubChem CID 134817105) has the molecular formula C64H112N4 and a molecular weight of 937.63 g/mol. Its IUPAC name is (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene.

Molecular Properties

Compound Name(6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene
PubChem CID134817105
Molecular FormulaC64H112N4
Molecular Weight937.63 g/mol
Exact Mass936.89
IUPAC Name(6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene
SMILESC1=C\CCCCN2C[C@@H]3CCCC/C=C\CCCCN4CC[C@H]([C@H](CCCCCC/1)C4)[C@H](C3)C2.C1=C\CCCC[C@@H]2CN3CCCC/C=C\CCCC[C@@H]4C[C@H](CN(CCCCCC/1)C4)[C@@H]2CC3
InChIInChI=1S/2C32H56N2/c2*1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h2,4-6,29-32H,1,3,7-28H2;1,3-4,6,29-32H,2,5,7-28H2/b5-2-,6-4-;3-1-,6-4-/t2*29-,30-,31-,32-/m11/s1
InChIKeyZQUIBROMXYIZJF-PKFSWBCKSA-N
XLogP16.49
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.63
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene 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

Haliclonacylamine-A
CID 5469974
Neopetrosiamine A
CID 49765082
Haliclonacyclamine F
CID 16215158
(6Z,12S,14S,23Z,29S,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene
CID 21575080
Xestoproxamine C, (rel)-
CID 52936554
Xestoproxamine A, (rel)-
CID 52937691
Xestoproxamine B, (rel)-
CID 52937783
haliclonacyclamine C
CID 10344676
Halichondramine
CID 10863630
haliclonacyclamine A
CID 101482270
(12R,13S,27S,29S)-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriacont-23-ene
CID 122201739
(4S,12S,13S,27S,29S)-4-methyl-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriacont-23-ene
CID 162869489

Frequently Asked Questions

What is the IUPAC name of (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene?
The IUPAC name of (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene (CID 134817105) is (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene.
What is the SMILES notation for (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene?
The canonical SMILES for (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene is C1=C\CCCCN2C[C@@H]3CCCC/C=C\CCCCN4CC[C@H]([C@H](CCCCCC/1)C4)[C@H](C3)C2.C1=C\CCCC[C@@H]2CN3CCCC/C=C\CCCC[C@@H]4C[C@H](CN(CCCCCC/1)C4)[C@@H]2CC3.
What is the InChIKey of (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene?
The InChIKey is ZQUIBROMXYIZJF-PKFSWBCKSA-N. The full InChI is InChI=1S/2C32H56N2/c2*1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h2,4-6,29-32H,1,3,7-28H2;1,3-4,6,29-32H,2,5,7-28H2/b5-2-,6-4-;3-1-,6-4-/t2*29-,30-,31-,32-/m11/s1.
What are the key properties of (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene?
(6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene has a molecular weight of 937.63 g/mol, XLogP of 16.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,12R,14S,21Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,21-diene;(6Z,12R,14S,23Z,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene is sourced from PubChem (CID 134817105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).