N,N,4-tris(4-anthracen-9-ylphenyl)aniline

C66H43N — CID 58383816

IUPACN,N,4-tris(4-anthracen-9-ylphenyl)aniline
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6c7ccccc7cc7ccccc67)cc5)c5ccc(-c6c7ccccc7cc7ccccc67)cc5)cc4)cc3)c3ccccc3cc2c1
InChIInChI=1S/C66H43N/c1-7-19-58-49(13-1)41-50-14-2-8-20-59(50)64(58)46-27-25-44(26-28-46)45-29-35-55(36-30-45)67(56-37-31-47(32-38-56)65-60-21-9-3-15-51(60)42-52-16-4-10-22-61(52)65)57-39-33-48(34-40-57)66-62-23-11-5-17-53(62)43-54-18-6-12-24-63(54)66/h1-43H
InChIKeyLPIMZWDBYXWBHK-UHFFFAOYSA-N
MW850.08 g/mol
LogP18.74
Rot. Bonds7

About N,N,4-tris(4-anthracen-9-ylphenyl)aniline

N,N,4-tris(4-anthracen-9-ylphenyl)aniline (PubChem CID 58383816) has the molecular formula C66H43N and a molecular weight of 850.08 g/mol. Its IUPAC name is N,N,4-tris(4-anthracen-9-ylphenyl)aniline.

Molecular Properties

Compound NameN,N,4-tris(4-anthracen-9-ylphenyl)aniline
PubChem CID58383816
Molecular FormulaC66H43N
Molecular Weight850.08 g/mol
Exact Mass849.34
IUPAC NameN,N,4-tris(4-anthracen-9-ylphenyl)aniline
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6c7ccccc7cc7ccccc67)cc5)c5ccc(-c6c7ccccc7cc7ccccc67)cc5)cc4)cc3)c3ccccc3cc2c1
InChIInChI=1S/C66H43N/c1-7-19-58-49(13-1)41-50-14-2-8-20-59(50)64(58)46-27-25-44(26-28-46)45-29-35-55(36-30-45)67(56-37-31-47(32-38-56)65-60-21-9-3-15-51(60)42-52-16-4-10-22-61(52)65)57-39-33-48(34-40-57)66-62-23-11-5-17-53(62)43-54-18-6-12-24-63(54)66/h1-43H
InChIKeyLPIMZWDBYXWBHK-UHFFFAOYSA-N
XLogP18.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.08
LogP ≤ 518.74
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

4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
CID 58383851
4-anthracen-9-yl-N,N-diphenylaniline
CID 20625761
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 121477393
N,N-bis(4-anthracen-9-ylphenyl)phenanthren-1-amine
CID 121285036
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
N,N-diphenyl-4-[4-[11-[4-[4-(N-phenylanilino)phenyl]phenyl]chrysen-5-yl]phenyl]aniline
CID 59987791
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808683

Frequently Asked Questions

What is the IUPAC name of N,N,4-tris(4-anthracen-9-ylphenyl)aniline?
The IUPAC name of N,N,4-tris(4-anthracen-9-ylphenyl)aniline (CID 58383816) is N,N,4-tris(4-anthracen-9-ylphenyl)aniline.
What is the SMILES notation for N,N,4-tris(4-anthracen-9-ylphenyl)aniline?
The canonical SMILES for N,N,4-tris(4-anthracen-9-ylphenyl)aniline is c1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6c7ccccc7cc7ccccc67)cc5)c5ccc(-c6c7ccccc7cc7ccccc67)cc5)cc4)cc3)c3ccccc3cc2c1.
What is the InChIKey of N,N,4-tris(4-anthracen-9-ylphenyl)aniline?
The InChIKey is LPIMZWDBYXWBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N/c1-7-19-58-49(13-1)41-50-14-2-8-20-59(50)64(58)46-27-25-44(26-28-46)45-29-35-55(36-30-45)67(56-37-31-47(32-38-56)65-60-21-9-3-15-51(60)42-52-16-4-10-22-61(52)65)57-39-33-48(34-40-57)66-62-23-11-5-17-53(62)43-54-18-6-12-24-63(54)66/h1-43H.
What are the key properties of N,N,4-tris(4-anthracen-9-ylphenyl)aniline?
N,N,4-tris(4-anthracen-9-ylphenyl)aniline has a molecular weight of 850.08 g/mol, XLogP of 18.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-tris(4-anthracen-9-ylphenyl)aniline is sourced from PubChem (CID 58383816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).