N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine

C55H40N2 — CID 90896917

IUPACN-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C55H40N2/c1-39-19-31-47(32-20-39)57(54-38-37-52-50-16-9-8-15-49(50)51-17-10-18-53(54)55(51)52)48-35-29-43(30-36-48)42-27-23-40(24-28-42)21-22-41-25-33-46(34-26-41)56(44-11-4-2-5-12-44)45-13-6-3-7-14-45/h2-38H,1H3
InChIKeyCGISEUZDNKZJSU-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.57
Rot. Bonds9

About N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine

N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine (PubChem CID 90896917) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
PubChem CID90896917
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC NameN-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C55H40N2/c1-39-19-31-47(32-20-39)57(54-38-37-52-50-16-9-8-15-49(50)51-17-10-18-53(54)55(51)52)48-35-29-43(30-36-48)42-27-23-40(24-28-42)21-22-41-25-33-46(34-26-41)56(44-11-4-2-5-12-44)45-13-6-3-7-14-45/h2-38H,1H3
InChIKeyCGISEUZDNKZJSU-UHFFFAOYSA-N
XLogP15.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
CID 58903856
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022
N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine
CID 89067725
3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
CID 20789612
N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine
CID 19688920
N,N-diphenyl-4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline;N,N-diphenyl-4-[4-[2-(4-phenylphenyl)ethenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]buta-1,3-dienyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(2-phenylethenyl)phenyl]phenyl]aniline
CID 160612024
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836
N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89067967
N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine
CID 59133294

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine?
The IUPAC name of N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine (CID 90896917) is N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine?
The canonical SMILES for N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine is Cc1ccc(N(c2ccc(-c3ccc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine?
The InChIKey is CGISEUZDNKZJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-39-19-31-47(32-20-39)57(54-38-37-52-50-16-9-8-15-49(50)51-17-10-18-53(54)55(51)52)48-35-29-43(30-36-48)42-27-23-40(24-28-42)21-22-41-25-33-46(34-26-41)56(44-11-4-2-5-12-44)45-13-6-3-7-14-45/h2-38H,1H3.
What are the key properties of N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine?
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine has a molecular weight of 728.94 g/mol, XLogP of 15.57, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine is sourced from PubChem (CID 90896917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).