[3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone

C28H19ClN2O2 — CID 70688814

IUPAC[3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone
SMILESNC1=C(C(=O)c2c[nH]c3ccccc23)C(c2ccc(Cl)cc2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C28H19ClN2O2/c29-18-12-9-17(10-13-18)24-25-19-6-2-1-5-16(19)11-14-23(25)33-28(30)26(24)27(32)21-15-31-22-8-4-3-7-20(21)22/h1-15,24,31H,30H2
InChIKeyHZVWLUOPXYLHKC-UHFFFAOYSA-N
MW450.93 g/mol
LogP6.55
Rot. Bonds3

About [3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone

[3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone (PubChem CID 70688814) has the molecular formula C28H19ClN2O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is [3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone
PubChem CID70688814
Molecular FormulaC28H19ClN2O2
Molecular Weight450.93 g/mol
Exact Mass450.11
IUPAC Name[3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone
SMILESNC1=C(C(=O)c2c[nH]c3ccccc23)C(c2ccc(Cl)cc2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C28H19ClN2O2/c29-18-12-9-17(10-13-18)24-25-19-6-2-1-5-16(19)11-14-23(25)33-28(30)26(24)27(32)21-15-31-22-8-4-3-7-20(21)22/h1-15,24,31H,30H2
InChIKeyHZVWLUOPXYLHKC-UHFFFAOYSA-N
XLogP6.55
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.93
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone (CID 70688814) is [3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone is NC1=C(C(=O)c2c[nH]c3ccccc23)C(c2ccc(Cl)cc2)c2c(ccc3ccccc23)O1.
What is the InChIKey of [3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
The InChIKey is HZVWLUOPXYLHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN2O2/c29-18-12-9-17(10-13-18)24-25-19-6-2-1-5-16(19)11-14-23(25)33-28(30)26(24)27(32)21-15-31-22-8-4-3-7-20(21)22/h1-15,24,31H,30H2.
What are the key properties of [3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
[3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone has a molecular weight of 450.93 g/mol, XLogP of 6.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 70688814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).