(1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine

C33H28N4 — CID 163986385

IUPAC(1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine
SMILES[H]/N=C1/C=C\C(C)/C=c2/cc/c([nH]2)=C(\c2ccccc2)c2ccc([nH]2)C=c2ccc([nH]2)=C1c1ccccc1
InChIInChI=1S/C33H28N4/c1-22-12-16-28(34)32(23-8-4-2-5-9-23)29-17-14-26(36-29)21-27-15-19-31(37-27)33(24-10-6-3-7-11-24)30-18-13-25(20-22)35-30/h2-22,34-37H,1H3/b16-12-,25-20-,26-21?,32-29?,33-30-,34-28-
InChIKeyDZKYLEFKUABAPA-MGBFXWGKSA-N
MW480.62 g/mol
LogP3.95
Rot. Bonds2

About (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine

(1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine (PubChem CID 163986385) has the molecular formula C33H28N4 and a molecular weight of 480.62 g/mol. Its IUPAC name is (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine.

Molecular Properties

Compound Name(1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine
PubChem CID163986385
Molecular FormulaC33H28N4
Molecular Weight480.62 g/mol
Exact Mass480.23
IUPAC Name(1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine
SMILES[H]/N=C1/C=C\C(C)/C=c2/cc/c([nH]2)=C(\c2ccccc2)c2ccc([nH]2)C=c2ccc([nH]2)=C1c1ccccc1
InChIInChI=1S/C33H28N4/c1-22-12-16-28(34)32(23-8-4-2-5-9-23)29-17-14-26(36-29)21-27-15-19-31(37-27)33(24-10-6-3-7-11-24)30-18-13-25(20-22)35-30/h2-22,34-37H,1H3/b16-12-,25-20-,26-21?,32-29?,33-30-,34-28-
InChIKeyDZKYLEFKUABAPA-MGBFXWGKSA-N
XLogP3.95
TPSA71.22 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine?
The IUPAC name of (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine (CID 163986385) is (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine.
What is the SMILES notation for (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine?
The canonical SMILES for (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine is [H]/N=C1/C=C\C(C)/C=c2/cc/c([nH]2)=C(\c2ccccc2)c2ccc([nH]2)C=c2ccc([nH]2)=C1c1ccccc1.
What is the InChIKey of (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine?
The InChIKey is DZKYLEFKUABAPA-MGBFXWGKSA-N. The full InChI is InChI=1S/C33H28N4/c1-22-12-16-28(34)32(23-8-4-2-5-9-23)29-17-14-26(36-29)21-27-15-19-31(37-27)33(24-10-6-3-7-11-24)30-18-13-25(20-22)35-30/h2-22,34-37H,1H3/b16-12-,25-20-,26-21?,32-29?,33-30-,34-28-.
What are the key properties of (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine?
(1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine has a molecular weight of 480.62 g/mol, XLogP of 3.95, 2 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine is sourced from PubChem (CID 163986385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).