3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one

C38H26N2O4 — CID 142252750

IUPAC3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one
SMILESCn1c2cc(-c3cc4ccc(N)cc4oc3=O)ccc2c2ccc(-c3cc4ccc(Cc5ccccc5)cc4oc3=O)cc21
InChIInChI=1S/C38H26N2O4/c1-40-33-19-24(31-17-26-8-7-23(16-35(26)43-37(31)41)15-22-5-3-2-4-6-22)10-13-29(33)30-14-11-25(20-34(30)40)32-18-27-9-12-28(39)21-36(27)44-38(32)42/h2-14,16-21H,15,39H2,1H3
InChIKeyUXSZKZVLWDGIGG-UHFFFAOYSA-N
MW574.64 g/mol
LogP8.05
Rot. Bonds4

About 3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one

3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one (PubChem CID 142252750) has the molecular formula C38H26N2O4 and a molecular weight of 574.64 g/mol. Its IUPAC name is 3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one.

Molecular Properties

Compound Name3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one
PubChem CID142252750
Molecular FormulaC38H26N2O4
Molecular Weight574.64 g/mol
Exact Mass574.19
IUPAC Name3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one
SMILESCn1c2cc(-c3cc4ccc(N)cc4oc3=O)ccc2c2ccc(-c3cc4ccc(Cc5ccccc5)cc4oc3=O)cc21
InChIInChI=1S/C38H26N2O4/c1-40-33-19-24(31-17-26-8-7-23(16-35(26)43-37(31)41)15-22-5-3-2-4-6-22)10-13-29(33)30-14-11-25(20-34(30)40)32-18-27-9-12-28(39)21-36(27)44-38(32)42/h2-14,16-21H,15,39H2,1H3
InChIKeyUXSZKZVLWDGIGG-UHFFFAOYSA-N
XLogP8.05
TPSA91.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.64
LogP ≤ 58.05
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'}

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Related Compounds

7-amino-3-[3-[6-[3-(2-oxochromen-3-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]chromen-2-one
CID 142252770
7-amino-3-(4-tert-butylphenyl)chromen-2-one
CID 172825366
5-[7-(7-amino-2-oxochromen-3-yl)-9-phenylcarbazol-2-yl]-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
CID 149132602
3-[7-[7-(diethylamino)-2-oxochromen-3-yl]-9-methylcarbazol-2-yl]-7-methylbenzo[h]chromen-2-one
CID 142252635
2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole
CID 121465195
7-(3-hydroxypentyl)-3-phenylchromen-2-one
CID 146412094
7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one
CID 153454846
3-phenylchromen-2-one;hydrochloride
CID 141206894
6-benzyl-1-methyl-3-[1-(propylamino)indol-3-yl]quinoxalin-2-one
CID 57013285
3-[4-[5-[3-(7-amino-4-methyl-2-oxochromen-3-yl)phenyl]-3-pyridinyl]phenyl]benzo[g]chromen-2-one
CID 142252694
2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622625
7-(furan-2-yl)-3-phenylchromen-2-one
CID 59685532

Frequently Asked Questions

What is the IUPAC name of 3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one?
The IUPAC name of 3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one (CID 142252750) is 3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one.
What is the SMILES notation for 3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one?
The canonical SMILES for 3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one is Cn1c2cc(-c3cc4ccc(N)cc4oc3=O)ccc2c2ccc(-c3cc4ccc(Cc5ccccc5)cc4oc3=O)cc21.
What is the InChIKey of 3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one?
The InChIKey is UXSZKZVLWDGIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2O4/c1-40-33-19-24(31-17-26-8-7-23(16-35(26)43-37(31)41)15-22-5-3-2-4-6-22)10-13-29(33)30-14-11-25(20-34(30)40)32-18-27-9-12-28(39)21-36(27)44-38(32)42/h2-14,16-21H,15,39H2,1H3.
What are the key properties of 3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one?
3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one has a molecular weight of 574.64 g/mol, XLogP of 8.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(7-amino-2-oxochromen-3-yl)-9-methylcarbazol-2-yl]-7-benzylchromen-2-one is sourced from PubChem (CID 142252750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).