4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline

C45H33N — CID 142004488

IUPAC4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
SMILESCc1cccc(-c2c3ccccc3c(-c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)c3ccccc23)c1
InChIInChI=1S/C45H33N/c1-32-14-12-16-35(30-32)44-40-22-8-10-24-42(40)45(43-25-11-9-23-41(43)44)36-17-13-15-34(31-36)33-26-28-39(29-27-33)46(37-18-4-2-5-19-37)38-20-6-3-7-21-38/h2-31H,1H3
InChIKeyGZXLQHXOYYKQOO-UHFFFAOYSA-N
MW587.77 g/mol
LogP12.77
Rot. Bonds6

About 4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline

4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline (PubChem CID 142004488) has the molecular formula C45H33N and a molecular weight of 587.77 g/mol. Its IUPAC name is 4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
PubChem CID142004488
Molecular FormulaC45H33N
Molecular Weight587.77 g/mol
Exact Mass587.26
IUPAC Name4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
SMILESCc1cccc(-c2c3ccccc3c(-c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)c3ccccc23)c1
InChIInChI=1S/C45H33N/c1-32-14-12-16-35(30-32)44-40-22-8-10-24-42(40)45(43-25-11-9-23-41(43)44)36-17-13-15-34(31-36)33-26-28-39(29-27-33)46(37-18-4-2-5-19-37)38-20-6-3-7-21-38/h2-31H,1H3
InChIKeyGZXLQHXOYYKQOO-UHFFFAOYSA-N
XLogP12.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.77
LogP ≤ 512.77
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-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
CID 143566974
N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
CID 143567044
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
CID 59194316
4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
CID 12049245
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214

Frequently Asked Questions

What is the IUPAC name of 4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline (CID 142004488) is 4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline is Cc1cccc(-c2c3ccccc3c(-c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)c3ccccc23)c1.
What is the InChIKey of 4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline?
The InChIKey is GZXLQHXOYYKQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N/c1-32-14-12-16-35(30-32)44-40-22-8-10-24-42(40)45(43-25-11-9-23-41(43)44)36-17-13-15-34(31-36)33-26-28-39(29-27-33)46(37-18-4-2-5-19-37)38-20-6-3-7-21-38/h2-31H,1H3.
What are the key properties of 4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline?
4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline has a molecular weight of 587.77 g/mol, XLogP of 12.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 142004488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).