3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one

C40H26N2O4 — CID 142252694

IUPAC3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one
SMILESCc1c(-c2cccc(-c3cncc(-c4ccc(-c5cc6cc7ccccc7cc6oc5=O)cc4)c3)c2)c(=O)oc2cc(N)ccc12
InChIInChI=1S/C40H26N2O4/c1-23-34-14-13-33(41)20-37(34)46-40(44)38(23)29-8-4-7-27(15-29)32-17-31(21-42-22-32)24-9-11-25(12-10-24)35-18-30-16-26-5-2-3-6-28(26)19-36(30)45-39(35)43/h2-22H,41H2,1H3
InChIKeyKKXXUZRZCAKUDM-UHFFFAOYSA-N
MW598.66 g/mol
LogP9.01
Rot. Bonds4

About 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one

3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one (PubChem CID 142252694) has the molecular formula C40H26N2O4 and a molecular weight of 598.66 g/mol. Its IUPAC name is 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one.

Molecular Properties

Compound Name3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one
PubChem CID142252694
Molecular FormulaC40H26N2O4
Molecular Weight598.66 g/mol
Exact Mass598.19
IUPAC Name3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one
SMILESCc1c(-c2cccc(-c3cncc(-c4ccc(-c5cc6cc7ccccc7cc6oc5=O)cc4)c3)c2)c(=O)oc2cc(N)ccc12
InChIInChI=1S/C40H26N2O4/c1-23-34-14-13-33(41)20-37(34)46-40(44)38(23)29-8-4-7-27(15-29)32-17-31(21-42-22-32)24-9-11-25(12-10-24)35-18-30-16-26-5-2-3-6-28(26)19-36(30)45-39(35)43/h2-22H,41H2,1H3
InChIKeyKKXXUZRZCAKUDM-UHFFFAOYSA-N
XLogP9.01
TPSA99.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.66
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one 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

8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one
CID 137366832
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
3-phenylchromen-2-one;hydrochloride
CID 141206894
3-(3-bromophenyl)-4-methylchromen-2-one
CID 688765
3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one
CID 142252750
3-(4-aminophenyl)-7-(diethylamino)-4-methylchromen-2-one
CID 659315
2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
CID 176745980
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
7-(azetidin-1-yl)-4-methyl-3-[3-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]chromen-2-one
CID 162405764
3-(3,4-dichlorophenyl)-7-methoxy-4-methylchromen-2-one
CID 2372490
prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate
CID 7198306

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one?
The IUPAC name of 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one (CID 142252694) is 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one.
What is the SMILES notation for 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one?
The canonical SMILES for 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one is Cc1c(-c2cccc(-c3cncc(-c4ccc(-c5cc6cc7ccccc7cc6oc5=O)cc4)c3)c2)c(=O)oc2cc(N)ccc12.
What is the InChIKey of 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one?
The InChIKey is KKXXUZRZCAKUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O4/c1-23-34-14-13-33(41)20-37(34)46-40(44)38(23)29-8-4-7-27(15-29)32-17-31(21-42-22-32)24-9-11-25(12-10-24)35-18-30-16-26-5-2-3-6-28(26)19-36(30)45-39(35)43/h2-22H,41H2,1H3.
What are the key properties of 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one?
3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one has a molecular weight of 598.66 g/mol, XLogP of 9.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one is sourced from PubChem (CID 142252694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).