2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione

C35H22Cl2N2O3 — CID 162417212

IUPAC2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione
SMILESCc1cc2c(c(=O)n1-c1cccc(Cl)c1)C(c1ccccc1)C1=C(C(=O)c3ccccc3C1=O)N2c1cccc(Cl)c1
InChIInChI=1S/C35H22Cl2N2O3/c1-20-17-28-30(35(42)38(20)24-13-7-11-22(36)18-24)29(21-9-3-2-4-10-21)31-32(39(28)25-14-8-12-23(37)19-25)34(41)27-16-6-5-15-26(27)33(31)40/h2-19,29H,1H3
InChIKeyFMLQNYLDAAXTML-UHFFFAOYSA-N
MW589.48 g/mol
LogP8.07
Rot. Bonds3

About 2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione

2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione (PubChem CID 162417212) has the molecular formula C35H22Cl2N2O3 and a molecular weight of 589.48 g/mol. Its IUPAC name is 2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione.

Molecular Properties

Compound Name2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione
PubChem CID162417212
Molecular FormulaC35H22Cl2N2O3
Molecular Weight589.48 g/mol
Exact Mass588.10
IUPAC Name2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione
SMILESCc1cc2c(c(=O)n1-c1cccc(Cl)c1)C(c1ccccc1)C1=C(C(=O)c3ccccc3C1=O)N2c1cccc(Cl)c1
InChIInChI=1S/C35H22Cl2N2O3/c1-20-17-28-30(35(42)38(20)24-13-7-11-22(36)18-24)29(21-9-3-2-4-10-21)31-32(39(28)25-14-8-12-23(37)19-25)34(41)27-16-6-5-15-26(27)33(31)40/h2-19,29H,1H3
InChIKeyFMLQNYLDAAXTML-UHFFFAOYSA-N
XLogP8.07
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.48
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

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CID 162417200
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(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
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(1R,2R,6R,7S)-4-(3-chlorophenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 26975220
4-(3-chlorophenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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CID 3772206
1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione
CID 46298369
(1S,2R,6S,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98119677
(1S,2R,6R,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98173936
(3R,3aS,6aS)-5-(3-chlorophenyl)-3-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6587836

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione?
The IUPAC name of 2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione (CID 162417212) is 2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione.
What is the SMILES notation for 2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione?
The canonical SMILES for 2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione is Cc1cc2c(c(=O)n1-c1cccc(Cl)c1)C(c1ccccc1)C1=C(C(=O)c3ccccc3C1=O)N2c1cccc(Cl)c1.
What is the InChIKey of 2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione?
The InChIKey is FMLQNYLDAAXTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22Cl2N2O3/c1-20-17-28-30(35(42)38(20)24-13-7-11-22(36)18-24)29(21-9-3-2-4-10-21)31-32(39(28)25-14-8-12-23(37)19-25)34(41)27-16-6-5-15-26(27)33(31)40/h2-19,29H,1H3.
What are the key properties of 2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione?
2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione has a molecular weight of 589.48 g/mol, XLogP of 8.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-chlorophenyl)-3-methyl-12-phenyl-12H-naphtho[3,2-b][1,6]naphthyridine-1,6,11-trione is sourced from PubChem (CID 162417212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).