N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine

C64H45N — CID 168837110

IUPACN-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
SMILESCc1ccc(N(c2ccc(C)c3ccccc23)c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C64H45N/c1-42-33-36-60(52-26-12-9-23-49(42)52)65(61-37-34-43(2)50-24-10-13-27-53(50)61)62-38-35-59(51-25-11-14-28-54(51)62)64-57-31-17-15-29-55(57)63(56-30-16-18-32-58(56)64)48-40-46(44-19-5-3-6-20-44)39-47(41-48)45-21-7-4-8-22-45/h3-41H,1-2H3
InChIKeyACUFUEVNCODTRW-UHFFFAOYSA-N
MW828.07 g/mol
LogP18.21
Rot. Bonds7

About N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine

N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine (PubChem CID 168837110) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
PubChem CID168837110
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
SMILESCc1ccc(N(c2ccc(C)c3ccccc23)c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C64H45N/c1-42-33-36-60(52-26-12-9-23-49(42)52)65(61-37-34-43(2)50-24-10-13-27-53(50)61)62-38-35-59(51-25-11-14-28-54(51)62)64-57-31-17-15-29-55(57)63(56-30-16-18-32-58(56)64)48-40-46(44-19-5-3-6-20-44)39-47(41-48)45-21-7-4-8-22-45/h3-41H,1-2H3
InChIKeyACUFUEVNCODTRW-UHFFFAOYSA-N
XLogP18.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 518.21
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-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine
CID 135128741
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-(4-phenylphenyl)naphthalen-1-yl]chrysene-6,12-diamine
CID 58421128
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708
4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine
CID 168837065
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
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-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59459845
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
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
4-[4-[bis(4-methylnaphthalen-1-yl)amino]phenyl]benzoic acid
CID 139962476

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
The IUPAC name of N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine (CID 168837110) is N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
The canonical SMILES for N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine is Cc1ccc(N(c2ccc(C)c3ccccc23)c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c3ccccc23)c2ccccc12.
What is the InChIKey of N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
The InChIKey is ACUFUEVNCODTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-42-33-36-60(52-26-12-9-23-49(42)52)65(61-37-34-43(2)50-24-10-13-27-53(50)61)62-38-35-59(51-25-11-14-28-54(51)62)64-57-31-17-15-29-55(57)63(56-30-16-18-32-58(56)64)48-40-46(44-19-5-3-6-20-44)39-47(41-48)45-21-7-4-8-22-45/h3-41H,1-2H3.
What are the key properties of N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine has a molecular weight of 828.07 g/mol, XLogP of 18.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine is sourced from PubChem (CID 168837110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).