2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline

C55H39N — CID 129084236

IUPAC2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline
SMILESC=C(c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccccc4)c3c2)c2ccccc12)N(c1ccccc1)c1ccccc1C
InChIInChI=1S/C55H39N/c1-37-18-9-16-31-53(37)56(42-23-7-4-8-24-42)38(2)43-34-35-45(47-27-13-12-26-46(43)47)41-32-33-51-52(36-41)54(40-20-5-3-6-21-40)49-28-14-15-29-50(49)55(51)48-30-17-22-39-19-10-11-25-44(39)48/h3-36H,2H2,1H3
InChIKeyRJTYMTWYJGNHDO-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.42
Rot. Bonds7

About 2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline

2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline (PubChem CID 129084236) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline
PubChem CID129084236
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC Name2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline
SMILESC=C(c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccccc4)c3c2)c2ccccc12)N(c1ccccc1)c1ccccc1C
InChIInChI=1S/C55H39N/c1-37-18-9-16-31-53(37)56(42-23-7-4-8-24-42)38(2)43-34-35-45(47-27-13-12-26-46(43)47)41-32-33-51-52(36-41)54(40-20-5-3-6-21-40)49-28-14-15-29-50(49)55(51)48-30-17-22-39-19-10-11-25-44(39)48/h3-36H,2H2,1H3
InChIKeyRJTYMTWYJGNHDO-UHFFFAOYSA-N
XLogP15.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline
CID 145167132
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline?
The IUPAC name of 2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline (CID 129084236) is 2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline.
What is the SMILES notation for 2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline?
The canonical SMILES for 2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline is C=C(c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccccc4)c3c2)c2ccccc12)N(c1ccccc1)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline?
The InChIKey is RJTYMTWYJGNHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-37-18-9-16-31-53(37)56(42-23-7-4-8-24-42)38(2)43-34-35-45(47-27-13-12-26-46(43)47)41-32-33-51-52(36-41)54(40-20-5-3-6-21-40)49-28-14-15-29-50(49)55(51)48-30-17-22-39-19-10-11-25-44(39)48/h3-36H,2H2,1H3.
What are the key properties of 2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline?
2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline has a molecular weight of 713.92 g/mol, XLogP of 15.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline is sourced from PubChem (CID 129084236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).