ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine

C43H35NO — CID 142605990

IUPACethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine
SMILESCC.CNc1ccc2c(C#Cc3cccc4cc(OC)ccc34)c3ccccc3c(C#Cc3cccc4cc(C)ccc34)c2c1
InChIInChI=1S/C41H29NO.C2H6/c1-27-14-19-34-28(8-6-10-30(34)24-27)16-21-39-37-13-5-4-12-36(37)38(40-22-17-32(42-2)26-41(39)40)20-15-29-9-7-11-31-25-33(43-3)18-23-35(29)31;1-2/h4-14,17-19,22-26,42H,1-3H3;1-2H3
InChIKeyOCIDHHCMMFHSKC-UHFFFAOYSA-N
MW581.76 g/mol
LogP10.48
Rot. Bonds2

About ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine

ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine (PubChem CID 142605990) has the molecular formula C43H35NO and a molecular weight of 581.76 g/mol. Its IUPAC name is ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine.

Molecular Properties

Compound Nameethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine
PubChem CID142605990
Molecular FormulaC43H35NO
Molecular Weight581.76 g/mol
Exact Mass581.27
IUPAC Nameethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine
SMILESCC.CNc1ccc2c(C#Cc3cccc4cc(OC)ccc34)c3ccccc3c(C#Cc3cccc4cc(C)ccc34)c2c1
InChIInChI=1S/C41H29NO.C2H6/c1-27-14-19-34-28(8-6-10-30(34)24-27)16-21-39-37-13-5-4-12-36(37)38(40-22-17-32(42-2)26-41(39)40)20-15-29-9-7-11-31-25-33(43-3)18-23-35(29)31;1-2/h4-14,17-19,22-26,42H,1-3H3;1-2H3
InChIKeyOCIDHHCMMFHSKC-UHFFFAOYSA-N
XLogP10.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.76
LogP ≤ 510.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44579115
CID 44579115
CID 44579163
CID 44579163
CID 56662842
CID 56662842
CID 56673238
CID 56673238
CID 784349
CID 784349
CID 23635612
CID 23635612
CID 44579296
CID 44579296
CID 52937342
CID 52937342
CID 57381766
CID 57381766
CID 59443460
CID 59443460
CID 70589
CID 70589
CID 10425209
CID 10425209

Frequently Asked Questions

What is the IUPAC name of ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine?
The IUPAC name of ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine (CID 142605990) is ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine.
What is the SMILES notation for ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine?
The canonical SMILES for ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine is CC.CNc1ccc2c(C#Cc3cccc4cc(OC)ccc34)c3ccccc3c(C#Cc3cccc4cc(C)ccc34)c2c1.
What is the InChIKey of ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine?
The InChIKey is OCIDHHCMMFHSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NO.C2H6/c1-27-14-19-34-28(8-6-10-30(34)24-27)16-21-39-37-13-5-4-12-36(37)38(40-22-17-32(42-2)26-41(39)40)20-15-29-9-7-11-31-25-33(43-3)18-23-35(29)31;1-2/h4-14,17-19,22-26,42H,1-3H3;1-2H3.
What are the key properties of ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine?
ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine has a molecular weight of 581.76 g/mol, XLogP of 10.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine is sourced from PubChem (CID 142605990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).