6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine

C49H33N — CID 166955115

IUPAC6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine
SMILESCc1ccc2ccccc2c1-c1c(Nc2ccccc2)ccc2cc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)ccc12
InChIInChI=1S/C49H33N/c1-31-18-19-34-10-5-6-14-40(34)47(31)49-41-26-24-35(28-36(41)25-27-46(49)50-39-12-3-2-4-13-39)32-20-22-33(23-21-32)38-29-37-11-9-17-44-42-15-7-8-16-43(42)45(30-38)48(37)44/h2-30,50H,1H3
InChIKeyLCTDNZGIYVKNEC-UHFFFAOYSA-N
MW635.81 g/mol
LogP13.85
Rot. Bonds5

About 6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine

6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine (PubChem CID 166955115) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is 6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine
PubChem CID166955115
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC Name6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine
SMILESCc1ccc2ccccc2c1-c1c(Nc2ccccc2)ccc2cc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)ccc12
InChIInChI=1S/C49H33N/c1-31-18-19-34-10-5-6-14-40(34)47(31)49-41-26-24-35(28-36(41)25-27-46(49)50-39-12-3-2-4-13-39)32-20-22-33(23-21-32)38-29-37-11-9-17-44-42-15-7-8-16-43(42)45(30-38)48(37)44/h2-30,50H,1H3
InChIKeyLCTDNZGIYVKNEC-UHFFFAOYSA-N
XLogP13.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 513.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine?
The IUPAC name of 6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine (CID 166955115) is 6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for 6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine is Cc1ccc2ccccc2c1-c1c(Nc2ccccc2)ccc2cc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)ccc12.
What is the InChIKey of 6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine?
The InChIKey is LCTDNZGIYVKNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-31-18-19-34-10-5-6-14-40(34)47(31)49-41-26-24-35(28-36(41)25-27-46(49)50-39-12-3-2-4-13-39)32-20-22-33(23-21-32)38-29-37-11-9-17-44-42-15-7-8-16-43(42)45(30-38)48(37)44/h2-30,50H,1H3.
What are the key properties of 6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine?
6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine has a molecular weight of 635.81 g/mol, XLogP of 13.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoranthen-2-ylphenyl)-1-(2-methylnaphthalen-1-yl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 166955115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).