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

C55H39N — CID 145167132

IUPACN-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline
SMILESC=C(c1ccc(-c2ccc3c(-c4c5ccccc5cc5ccccc45)c4ccccc4c(-c4ccccc4)c3c2)cc1)N(c1ccccc1)c1ccccc1C
InChIInChI=1S/C55H39N/c1-37-17-9-16-28-52(37)56(45-22-7-4-8-23-45)38(2)39-29-31-40(32-30-39)42-33-34-50-51(36-42)53(41-18-5-3-6-19-41)48-26-14-15-27-49(48)55(50)54-46-24-12-10-20-43(46)35-44-21-11-13-25-47(44)54/h3-36H,2H2,1H3
InChIKeyOVAJCBAORMOOTA-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.42
Rot. Bonds7

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

N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline (PubChem CID 145167132) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline
PubChem CID145167132
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline
SMILESC=C(c1ccc(-c2ccc3c(-c4c5ccccc5cc5ccccc45)c4ccccc4c(-c4ccccc4)c3c2)cc1)N(c1ccccc1)c1ccccc1C
InChIInChI=1S/C55H39N/c1-37-17-9-16-28-52(37)56(45-22-7-4-8-23-45)38(2)39-29-31-40(32-30-39)42-33-34-50-51(36-42)53(41-18-5-3-6-19-41)48-26-14-15-27-49(48)55(50)54-46-24-12-10-20-43(46)35-44-21-11-13-25-47(44)54/h3-36H,2H2,1H3
InChIKeyOVAJCBAORMOOTA-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

2-methyl-N-[1-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)naphthalen-1-yl]ethenyl]-N-phenylaniline
CID 129084236
N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline
CID 143828967
ethane;2-methyl-N-[1-[4-[9-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-13-yl]phenyl]ethenyl]-N-phenylaniline
CID 143396301
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline
CID 144983462
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline;9,10-dinaphthalen-2-yl-2,6-bis(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2,6-bis(10-phenylanthracen-9-yl)anthracene
CID 159179813
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline?
The IUPAC name of N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline (CID 145167132) is N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline.
What is the SMILES notation for N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline?
The canonical SMILES for N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline is C=C(c1ccc(-c2ccc3c(-c4c5ccccc5cc5ccccc45)c4ccccc4c(-c4ccccc4)c3c2)cc1)N(c1ccccc1)c1ccccc1C.
What is the InChIKey of N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline?
The InChIKey is OVAJCBAORMOOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-37-17-9-16-28-52(37)56(45-22-7-4-8-23-45)38(2)39-29-31-40(32-30-39)42-33-34-50-51(36-42)53(41-18-5-3-6-19-41)48-26-14-15-27-49(48)55(50)54-46-24-12-10-20-43(46)35-44-21-11-13-25-47(44)54/h3-36H,2H2,1H3.
What are the key properties of N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline?
N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-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 N-[1-[4-(10-anthracen-9-yl-9-phenylanthracen-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline is sourced from PubChem (CID 145167132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).