(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one

C50H32N2O2 — CID 11216148

IUPAC(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one
SMILESO=C1C(C2=c3ccccc3=C/C(=C3\C=CC=C(c4cccc5ccccc45)N3)C2=O)=c2ccccc2=C/C1=C1\C=CC=C(c2cccc3ccccc23)N1
InChIInChI=1S/C50H32N2O2/c53-49-41(45-27-11-25-43(51-45)39-23-9-17-31-13-1-5-19-35(31)39)29-33-15-3-7-21-37(33)47(49)48-38-22-8-4-16-34(38)30-42(50(48)54)46-28-12-26-44(52-46)40-24-10-18-32-14-2-6-20-36(32)40/h1-30,51-52H/b45-41-,46-42-
InChIKeyFCXCLOCMBDJTKB-CYSJJLBPSA-N
MW692.82 g/mol
LogP6.63
Rot. Bonds3

About (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one

(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one (PubChem CID 11216148) has the molecular formula C50H32N2O2 and a molecular weight of 692.82 g/mol. Its IUPAC name is (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one.

Molecular Properties

Compound Name(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one
PubChem CID11216148
Molecular FormulaC50H32N2O2
Molecular Weight692.82 g/mol
Exact Mass692.25
IUPAC Name(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one
SMILESO=C1C(C2=c3ccccc3=C/C(=C3\C=CC=C(c4cccc5ccccc45)N3)C2=O)=c2ccccc2=C/C1=C1\C=CC=C(c2cccc3ccccc23)N1
InChIInChI=1S/C50H32N2O2/c53-49-41(45-27-11-25-43(51-45)39-23-9-17-31-13-1-5-19-35(31)39)29-33-15-3-7-21-37(33)47(49)48-38-22-8-4-16-34(38)30-42(50(48)54)46-28-12-26-44(52-46)40-24-10-18-32-14-2-6-20-36(32)40/h1-30,51-52H/b45-41-,46-42-
InChIKeyFCXCLOCMBDJTKB-CYSJJLBPSA-N
XLogP6.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one with MolForge

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Related Compounds

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CID 22501380
disodium;3-methylidene-4-naphthalen-1-yl-2H-naphthalene;sulfate
CID 174452390
3-naphthalen-1-yl-1H-azet-2-one
CID 175502748
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
3-bromo-2-naphthalen-1-ylinden-1-one
CID 13310220

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one?
The IUPAC name of (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one (CID 11216148) is (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one.
What is the SMILES notation for (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one?
The canonical SMILES for (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one is O=C1C(C2=c3ccccc3=C/C(=C3\C=CC=C(c4cccc5ccccc45)N3)C2=O)=c2ccccc2=C/C1=C1\C=CC=C(c2cccc3ccccc23)N1.
What is the InChIKey of (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one?
The InChIKey is FCXCLOCMBDJTKB-CYSJJLBPSA-N. The full InChI is InChI=1S/C50H32N2O2/c53-49-41(45-27-11-25-43(51-45)39-23-9-17-31-13-1-5-19-35(31)39)29-33-15-3-7-21-37(33)47(49)48-38-22-8-4-16-34(38)30-42(50(48)54)46-28-12-26-44(52-46)40-24-10-18-32-14-2-6-20-36(32)40/h1-30,51-52H/b45-41-,46-42-.
What are the key properties of (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one?
(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one has a molecular weight of 692.82 g/mol, XLogP of 6.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one is sourced from PubChem (CID 11216148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).