4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine

C48H35N — CID 135128741

IUPAC4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine
SMILESCc1cc(C)c2ccccc2c1-c1c2ccccc2c(-c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C48H35N/c1-32-31-33(2)46(39-24-12-9-21-36(32)39)48-42-27-15-13-25-40(42)47(41-26-14-16-28-43(41)48)44-29-30-45(38-23-11-10-22-37(38)44)49(34-17-5-3-6-18-34)35-19-7-4-8-20-35/h3-31H,1-2H3
InChIKeyYRWRKEFJJCBUNK-UHFFFAOYSA-N
MW625.82 g/mol
LogP13.72
Rot. Bonds5

About 4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine

4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine (PubChem CID 135128741) has the molecular formula C48H35N and a molecular weight of 625.82 g/mol. Its IUPAC name is 4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine
PubChem CID135128741
Molecular FormulaC48H35N
Molecular Weight625.82 g/mol
Exact Mass625.28
IUPAC Name4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine
SMILESCc1cc(C)c2ccccc2c1-c1c2ccccc2c(-c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C48H35N/c1-32-31-33(2)46(39-24-12-9-21-36(32)39)48-42-27-15-13-25-40(42)47(41-26-14-16-28-43(41)48)44-29-30-45(38-23-11-10-22-37(38)44)49(34-17-5-3-6-18-34)35-19-7-4-8-20-35/h3-31H,1-2H3
InChIKeyYRWRKEFJJCBUNK-UHFFFAOYSA-N
XLogP13.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 513.72
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-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
CID 121444405
N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
CID 168837110
N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
CID 59194325
1-(2,4-dimethylphenyl)-2,4-dimethylnaphthalene
CID 143438685
4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline
CID 59306586
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine
CID 123939145
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-amine;N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-amine
CID 158598595
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;ethane;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 160684370
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine?
The IUPAC name of 4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine (CID 135128741) is 4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine.
What is the SMILES notation for 4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine?
The canonical SMILES for 4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine is Cc1cc(C)c2ccccc2c1-c1c2ccccc2c(-c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc12.
What is the InChIKey of 4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine?
The InChIKey is YRWRKEFJJCBUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N/c1-32-31-33(2)46(39-24-12-9-21-36(32)39)48-42-27-15-13-25-40(42)47(41-26-14-16-28-43(41)48)44-29-30-45(38-23-11-10-22-37(38)44)49(34-17-5-3-6-18-34)35-19-7-4-8-20-35/h3-31H,1-2H3.
What are the key properties of 4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine?
4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine has a molecular weight of 625.82 g/mol, XLogP of 13.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine is sourced from PubChem (CID 135128741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).