7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one

C35H30N2O2 — CID 58612991

IUPAC7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c(=O)oc2c1
InChIInChI=1S/C35H30N2O2/c1-3-36(4-2)30-22-19-27-23-32(35(38)39-34(27)24-30)26-17-20-29(21-18-26)37(28-13-6-5-7-14-28)33-16-10-12-25-11-8-9-15-31(25)33/h5-24H,3-4H2,1-2H3
InChIKeyZOGAKXTYKKJLKB-UHFFFAOYSA-N
MW510.64 g/mol
LogP8.93
Rot. Bonds7

About 7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one

7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one (PubChem CID 58612991) has the molecular formula C35H30N2O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one
PubChem CID58612991
Molecular FormulaC35H30N2O2
Molecular Weight510.64 g/mol
Exact Mass510.23
IUPAC Name7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c(=O)oc2c1
InChIInChI=1S/C35H30N2O2/c1-3-36(4-2)30-22-19-27-23-32(35(38)39-34(27)24-30)26-17-20-29(21-18-26)37(28-13-6-5-7-14-28)33-16-10-12-25-11-8-9-15-31(25)33/h5-24H,3-4H2,1-2H3
InChIKeyZOGAKXTYKKJLKB-UHFFFAOYSA-N
XLogP8.93
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-7-(diethylamino)chromen-2-one
CID 3518661
4-[7-(diethylamino)-2-oxochromen-3-yl]benzonitrile
CID 19090609
7-(diethylamino)-3-pyridin-1-ium-4-ylchromen-2-one;ethane
CID 142382157
7-(diethylamino)-3-pyridin-3-ylchromen-2-one
CID 89474400
7-(dimethylamino)-3-phenylchromen-2-one
CID 10611726
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399873
7-(diethylamino)-3-quinazolin-4-ylchromen-2-one
CID 169224187
3-[7-[7-(diethylamino)-2-oxochromen-3-yl]-9-methylcarbazol-2-yl]-7-methylbenzo[h]chromen-2-one
CID 142252635
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one (CID 58612991) is 7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one is CCN(CC)c1ccc2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one?
The InChIKey is ZOGAKXTYKKJLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2O2/c1-3-36(4-2)30-22-19-27-23-32(35(38)39-34(27)24-30)26-17-20-29(21-18-26)37(28-13-6-5-7-14-28)33-16-10-12-25-11-8-9-15-31(25)33/h5-24H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one?
7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one has a molecular weight of 510.64 g/mol, XLogP of 8.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one is sourced from PubChem (CID 58612991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).