[3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone

C27H21NO2 — CID 146048336

IUPAC[3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone
SMILESO=C(C1=C(NCc2ccccc2)Oc2ccc3ccccc3c2C1)c1ccccc1
InChIInChI=1S/C27H21NO2/c29-26(21-12-5-2-6-13-21)24-17-23-22-14-8-7-11-20(22)15-16-25(23)30-27(24)28-18-19-9-3-1-4-10-19/h1-16,28H,17-18H2
InChIKeyDTPOHABZBPFPSF-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.66
Rot. Bonds5

About [3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone

[3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone (PubChem CID 146048336) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is [3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone
PubChem CID146048336
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Name[3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone
SMILESO=C(C1=C(NCc2ccccc2)Oc2ccc3ccccc3c2C1)c1ccccc1
InChIInChI=1S/C27H21NO2/c29-26(21-12-5-2-6-13-21)24-17-23-22-14-8-7-11-20(22)15-16-25(23)30-27(24)28-18-19-9-3-1-4-10-19/h1-16,28H,17-18H2
InChIKeyDTPOHABZBPFPSF-UHFFFAOYSA-N
XLogP5.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone
CID 146048375
2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane
CID 123143178
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
1,2-dimethylhydrazine;diphenylmethanone;phenanthrene
CID 160628551
phenanthren-2-yl(phenyl)methanone
CID 131857195
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 58470814
4-[(naphthalen-1-ylamino)methyl]benzamide
CID 25344267
N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide
CID 44821171
methyl 2-[8-(diethylamino)-12H-benzo[a]xanthen-11-yl]benzoate
CID 18506626
10,12-dihydrobenzo[a]xanthen-9-one
CID 68748941
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of [3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone?
The IUPAC name of [3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone (CID 146048336) is [3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone?
The canonical SMILES for [3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone is O=C(C1=C(NCc2ccccc2)Oc2ccc3ccccc3c2C1)c1ccccc1.
What is the InChIKey of [3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone?
The InChIKey is DTPOHABZBPFPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2/c29-26(21-12-5-2-6-13-21)24-17-23-22-14-8-7-11-20(22)15-16-25(23)30-27(24)28-18-19-9-3-1-4-10-19/h1-16,28H,17-18H2.
What are the key properties of [3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone?
[3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone has a molecular weight of 391.47 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone is sourced from PubChem (CID 146048336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).