4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide

C34H32Cl2N4O2 — CID 167993423

IUPAC4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide
SMILESCCCN(C(=O)c1cc(Cl)c2ccc3c(Cl)cc(C(=O)N(CCC)c4ccc(C)cc4)nc3c2n1)c1ccc(C)cc1
InChIInChI=1S/C34H32Cl2N4O2/c1-5-17-39(23-11-7-21(3)8-12-23)33(41)29-19-27(35)25-15-16-26-28(36)20-30(38-32(26)31(25)37-29)34(42)40(18-6-2)24-13-9-22(4)10-14-24/h7-16,19-20H,5-6,17-18H2,1-4H3
InChIKeyAEIMUHKXRZSSSF-UHFFFAOYSA-N
MW599.56 g/mol
LogP8.82
Rot. Bonds8

About 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide

4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide (PubChem CID 167993423) has the molecular formula C34H32Cl2N4O2 and a molecular weight of 599.56 g/mol. Its IUPAC name is 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide.

Molecular Properties

Compound Name4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide
PubChem CID167993423
Molecular FormulaC34H32Cl2N4O2
Molecular Weight599.56 g/mol
Exact Mass598.19
IUPAC Name4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide
SMILESCCCN(C(=O)c1cc(Cl)c2ccc3c(Cl)cc(C(=O)N(CCC)c4ccc(C)cc4)nc3c2n1)c1ccc(C)cc1
InChIInChI=1S/C34H32Cl2N4O2/c1-5-17-39(23-11-7-21(3)8-12-23)33(41)29-19-27(35)25-15-16-26-28(36)20-30(38-32(26)31(25)37-29)34(42)40(18-6-2)24-13-9-22(4)10-14-24/h7-16,19-20H,5-6,17-18H2,1-4H3
InChIKeyAEIMUHKXRZSSSF-UHFFFAOYSA-N
XLogP8.82
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.56
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide?
The IUPAC name of 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide (CID 167993423) is 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide.
What is the SMILES notation for 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide?
The canonical SMILES for 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide is CCCN(C(=O)c1cc(Cl)c2ccc3c(Cl)cc(C(=O)N(CCC)c4ccc(C)cc4)nc3c2n1)c1ccc(C)cc1.
What is the InChIKey of 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide?
The InChIKey is AEIMUHKXRZSSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N4O2/c1-5-17-39(23-11-7-21(3)8-12-23)33(41)29-19-27(35)25-15-16-26-28(36)20-30(38-32(26)31(25)37-29)34(42)40(18-6-2)24-13-9-22(4)10-14-24/h7-16,19-20H,5-6,17-18H2,1-4H3.
What are the key properties of 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide?
4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide has a molecular weight of 599.56 g/mol, XLogP of 8.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-N,9-N-bis(4-methylphenyl)-2-N,9-N-dipropyl-1,10-phenanthroline-2,9-dicarboxamide is sourced from PubChem (CID 167993423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).