2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C41H24F3NO2 — CID 51348695

IUPAC2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESO=C1C(=Cc2ccc3cc(N(c4ccc(C(F)(F)F)cc4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C41H24F3NO2/c42-41(43,44)32-13-17-33(18-14-32)45(34-15-11-26-5-1-2-6-27(26)21-34)35-16-12-30-19-25(9-10-31(30)22-35)20-38-39(46)36-23-28-7-3-4-8-29(28)24-37(36)40(38)47/h1-24H
InChIKeyRYMABHNRWOUNCP-UHFFFAOYSA-N
MW619.64 g/mol
LogP11.10
Rot. Bonds4

About 2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 51348695) has the molecular formula C41H24F3NO2 and a molecular weight of 619.64 g/mol. Its IUPAC name is 2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID51348695
Molecular FormulaC41H24F3NO2
Molecular Weight619.64 g/mol
Exact Mass619.18
IUPAC Name2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESO=C1C(=Cc2ccc3cc(N(c4ccc(C(F)(F)F)cc4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C41H24F3NO2/c42-41(43,44)32-13-17-33(18-14-32)45(34-15-11-26-5-1-2-6-27(26)21-34)35-16-12-30-19-25(9-10-31(30)22-35)20-38-39(46)36-23-28-7-3-4-8-29(28)24-37(36)40(38)47/h1-24H
InChIKeyRYMABHNRWOUNCP-UHFFFAOYSA-N
XLogP11.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.64
LogP ≤ 511.10
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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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 51348695) is 2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is O=C1C(=Cc2ccc3cc(N(c4ccc(C(F)(F)F)cc4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is RYMABHNRWOUNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24F3NO2/c42-41(43,44)32-13-17-33(18-14-32)45(34-15-11-26-5-1-2-6-27(26)21-34)35-16-12-30-19-25(9-10-31(30)22-35)20-38-39(46)36-23-28-7-3-4-8-29(28)24-37(36)40(38)47/h1-24H.
What are the key properties of 2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 619.64 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[N-naphthalen-2-yl-4-(trifluoromethyl)anilino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 51348695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).