4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline

C78H51N — CID 58383851

IUPAC4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)cc5)c5ccc(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)cc5)cc4)cc3)c3ccccc3cc2c1
InChIInChI=1S/C78H51N/c1-7-19-70-61(13-1)49-62-14-2-8-20-71(62)76(70)58-31-25-52(26-32-58)55-37-43-67(44-38-55)79(68-45-39-56(40-46-68)53-27-33-59(34-28-53)77-72-21-9-3-15-63(72)50-64-16-4-10-22-73(64)77)69-47-41-57(42-48-69)54-29-35-60(36-30-54)78-74-23-11-5-17-65(74)51-66-18-6-12-24-75(66)78/h1-51H
InChIKeyFTOPPBGJTHJCML-UHFFFAOYSA-N
MW1002.27 g/mol
LogP22.08
Rot. Bonds9

About 4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline

4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline (PubChem CID 58383851) has the molecular formula C78H51N and a molecular weight of 1002.27 g/mol. Its IUPAC name is 4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
PubChem CID58383851
Molecular FormulaC78H51N
Molecular Weight1002.27 g/mol
Exact Mass1001.40
IUPAC Name4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)cc5)c5ccc(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)cc5)cc4)cc3)c3ccccc3cc2c1
InChIInChI=1S/C78H51N/c1-7-19-70-61(13-1)49-62-14-2-8-20-71(62)76(70)58-31-25-52(26-32-58)55-37-43-67(44-38-55)79(68-45-39-56(40-46-68)53-27-33-59(34-28-53)77-72-21-9-3-15-63(72)50-64-16-4-10-22-73(64)77)69-47-41-57(42-48-69)54-29-35-60(36-30-54)78-74-23-11-5-17-65(74)51-66-18-6-12-24-75(66)78/h1-51H
InChIKeyFTOPPBGJTHJCML-UHFFFAOYSA-N
XLogP22.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.27
LogP ≤ 522.08
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,N,4-tris(4-anthracen-9-ylphenyl)aniline
CID 58383816
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 4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline?
The IUPAC name of 4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline (CID 58383851) is 4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline?
The canonical SMILES for 4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline is c1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)cc5)c5ccc(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)cc5)cc4)cc3)c3ccccc3cc2c1.
What is the InChIKey of 4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline?
The InChIKey is FTOPPBGJTHJCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51N/c1-7-19-70-61(13-1)49-62-14-2-8-20-71(62)76(70)58-31-25-52(26-32-58)55-37-43-67(44-38-55)79(68-45-39-56(40-46-68)53-27-33-59(34-28-53)77-72-21-9-3-15-63(72)50-64-16-4-10-22-73(64)77)69-47-41-57(42-48-69)54-29-35-60(36-30-54)78-74-23-11-5-17-65(74)51-66-18-6-12-24-75(66)78/h1-51H.
What are the key properties of 4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline?
4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline has a molecular weight of 1002.27 g/mol, XLogP of 22.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline is sourced from PubChem (CID 58383851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).