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

C30H21NO2 — CID 146048375

IUPAC[3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone
SMILESO=C(C1=C(Nc2cccc3ccccc23)Oc2ccc3ccccc3c2C1)c1ccccc1
InChIInChI=1S/C30H21NO2/c32-29(22-11-2-1-3-12-22)26-19-25-23-14-6-4-10-21(23)17-18-28(25)33-30(26)31-27-16-8-13-20-9-5-7-15-24(20)27/h1-18,31H,19H2
InChIKeyPUALXUMUZXUMOV-UHFFFAOYSA-N
MW427.50 g/mol
LogP7.13
Rot. Bonds4

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

[3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone (PubChem CID 146048375) has the molecular formula C30H21NO2 and a molecular weight of 427.50 g/mol. Its IUPAC name is [3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone
PubChem CID146048375
Molecular FormulaC30H21NO2
Molecular Weight427.50 g/mol
Exact Mass427.16
IUPAC Name[3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone
SMILESO=C(C1=C(Nc2cccc3ccccc23)Oc2ccc3ccccc3c2C1)c1ccccc1
InChIInChI=1S/C30H21NO2/c32-29(22-11-2-1-3-12-22)26-19-25-23-14-6-4-10-21(23)17-18-28(25)33-30(26)31-27-16-8-13-20-9-5-7-15-24(20)27/h1-18,31H,19H2
InChIKeyPUALXUMUZXUMOV-UHFFFAOYSA-N
XLogP7.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(benzylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone
CID 146048336
2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one;ethane
CID 123143178
1,2-dimethylhydrazine;diphenylmethanone;phenanthrene
CID 160628551
phenol;N-phenylnaphthalen-1-amine
CID 159146578
phenanthren-2-yl(phenyl)methanone
CID 131857195
10,12-dihydrobenzo[a]xanthen-9-one
CID 68748941
methyl 2-[8-(diethylamino)-12H-benzo[a]xanthen-11-yl]benzoate
CID 18506626
14-chloro-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene
CID 20820440
2-(naphthalen-1-ylamino)butanedioic acid
CID 115144291
[2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone
CID 110827243
2-(naphthalen-1-ylamino)benzoyl chloride
CID 54450707
N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine
CID 135258876

Frequently Asked Questions

What is the IUPAC name of [3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone?
The IUPAC name of [3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone (CID 146048375) is [3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone?
The canonical SMILES for [3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone is O=C(C1=C(Nc2cccc3ccccc23)Oc2ccc3ccccc3c2C1)c1ccccc1.
What is the InChIKey of [3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone?
The InChIKey is PUALXUMUZXUMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO2/c32-29(22-11-2-1-3-12-22)26-19-25-23-14-6-4-10-21(23)17-18-28(25)33-30(26)31-27-16-8-13-20-9-5-7-15-24(20)27/h1-18,31H,19H2.
What are the key properties of [3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone?
[3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone has a molecular weight of 427.50 g/mol, XLogP of 7.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(naphthalen-1-ylamino)-1H-benzo[f]chromen-2-yl]-phenylmethanone is sourced from PubChem (CID 146048375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).