2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione

C44H33NO2 — CID 71263229

IUPAC2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=CC(C)c1cc3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3cc1C)C2=O
InChIInChI=1S/C44H33NO2/c1-27-12-19-39-41(20-27)44(47)42(43(39)46)22-29(3)40-26-34-15-18-38(25-35(34)21-28(40)2)45(36-16-13-30-8-4-6-10-32(30)23-36)37-17-14-31-9-5-7-11-33(31)24-37/h4-26,29H,1-3H3
InChIKeyMZKDAKCENOWTNA-UHFFFAOYSA-N
MW607.75 g/mol
LogP11.34
Rot. Bonds5

About 2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione

2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione (PubChem CID 71263229) has the molecular formula C44H33NO2 and a molecular weight of 607.75 g/mol. Its IUPAC name is 2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione.

Molecular Properties

Compound Name2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione
PubChem CID71263229
Molecular FormulaC44H33NO2
Molecular Weight607.75 g/mol
Exact Mass607.25
IUPAC Name2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=CC(C)c1cc3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3cc1C)C2=O
InChIInChI=1S/C44H33NO2/c1-27-12-19-39-41(20-27)44(47)42(43(39)46)22-29(3)40-26-34-15-18-38(25-35(34)21-28(40)2)45(36-16-13-30-8-4-6-10-32(30)23-36)37-17-14-31-9-5-7-11-33(31)24-37/h4-26,29H,1-3H3
InChIKeyMZKDAKCENOWTNA-UHFFFAOYSA-N
XLogP11.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.75
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(4-methyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione
CID 161266677
7,9,9-trimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 70902516
anthracene-9,10-dione;2-methylanthracene
CID 159482173
2-[[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]methylidene]-5-methylindene-1,3-dione;2-[[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]phenyl]methylidene]-5-methylindene-1,3-dione;2-[3-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]prop-2-enylidene]-5-methylindene-1,3-dione;2-[[3-ethyl-6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]-6-phenylcyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]-6-phenylcyclopenta[b]naphthalene-1,3-dione
CID 158819422
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
2-[[6-(4-phenyl-N-(2,4,6-trimethylphenyl)anilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 58175017
6-N,6-N,16-N,16-N-tetrakis(4-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032335
16-N-(2,5-dimethylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033163
N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
CID 58133213
2-[[6-(N-(9,9-dimethylfluoren-2-yl)-2,4,6-trimethylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 58175046
2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione
CID 58175010
2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide
CID 24629182

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione?
The IUPAC name of 2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione (CID 71263229) is 2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione.
What is the SMILES notation for 2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione?
The canonical SMILES for 2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione is Cc1ccc2c(c1)C(=O)C(=CC(C)c1cc3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3cc1C)C2=O.
What is the InChIKey of 2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione?
The InChIKey is MZKDAKCENOWTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NO2/c1-27-12-19-39-41(20-27)44(47)42(43(39)46)22-29(3)40-26-34-15-18-38(25-35(34)21-28(40)2)45(36-16-13-30-8-4-6-10-32(30)23-36)37-17-14-31-9-5-7-11-33(31)24-37/h4-26,29H,1-3H3.
What are the key properties of 2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione?
2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione has a molecular weight of 607.75 g/mol, XLogP of 11.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]propylidene]-5-methylindene-1,3-dione is sourced from PubChem (CID 71263229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).