4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline

C44H31N — CID 121477393

IUPAC4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5ccccc45)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C44H31N/c1-4-14-32(15-5-1)33-24-26-38(27-25-33)45(37-20-8-3-9-21-37)39-28-29-42(43(31-39)34-16-6-2-7-17-34)44-40-22-12-10-18-35(40)30-36-19-11-13-23-41(36)44/h1-31H
InChIKeyAOEBLOANPKUJHT-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

About 4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline

4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 121477393) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is 4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID121477393
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC Name4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5ccccc45)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C44H31N/c1-4-14-32(15-5-1)33-24-26-38(27-25-33)45(37-20-8-3-9-21-37)39-28-29-42(43(31-39)34-16-6-2-7-17-34)44-40-22-12-10-18-35(40)30-36-19-11-13-23-41(36)44/h1-31H
InChIKeyAOEBLOANPKUJHT-UHFFFAOYSA-N
XLogP12.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 512.46
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-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768
4-anthracen-9-yl-N,N-diphenylaniline
CID 20625761
3-phenanthren-9-yl-N,N,4-tris(4-phenylphenyl)aniline
CID 170054845
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698
5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline
CID 158894633
N-[4-[4-(N-(3,4-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 159775461
N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177081062

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline (CID 121477393) is 4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5ccccc45)c(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is AOEBLOANPKUJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-4-14-32(15-5-1)33-24-26-38(27-25-33)45(37-20-8-3-9-21-37)39-28-29-42(43(31-39)34-16-6-2-7-17-34)44-40-22-12-10-18-35(40)30-36-19-11-13-23-41(36)44/h1-31H.
What are the key properties of 4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline?
4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline has a molecular weight of 573.74 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121477393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).