N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine

C62H44N2 — CID 121444405

IUPACN-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
SMILESCc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccc(C)c5ccccc45)c4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C62H44N2/c1-41-37-39-57(47-27-11-9-25-45(41)47)63(43-21-5-3-6-22-43)61-53-33-17-13-29-49(53)59(50-30-14-18-34-54(50)61)60-51-31-15-19-35-55(51)62(56-36-20-16-32-52(56)60)64(44-23-7-4-8-24-44)58-40-38-42(2)46-26-10-12-28-48(46)58/h3-40H,1-2H3
InChIKeyUWIKMAYPEQDYQN-UHFFFAOYSA-N
MW817.05 g/mol
LogP17.83
Rot. Bonds7

About N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine

N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine (PubChem CID 121444405) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine.

Molecular Properties

Compound NameN-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
PubChem CID121444405
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC NameN-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
SMILESCc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccc(C)c5ccccc45)c4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C62H44N2/c1-41-37-39-57(47-27-11-9-25-45(41)47)63(43-21-5-3-6-22-43)61-53-33-17-13-29-49(53)59(50-30-14-18-34-54(50)61)60-51-31-15-19-35-55(51)62(56-36-20-16-32-52(56)60)64(44-23-7-4-8-24-44)58-40-38-42(2)46-26-10-12-28-48(46)58/h3-40H,1-2H3
InChIKeyUWIKMAYPEQDYQN-UHFFFAOYSA-N
XLogP17.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665522
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
CID 168837110
10-naphthalen-1-yl-N-phenyl-N-(4-trimethylsilylnaphthalen-1-yl)anthracen-9-amine
CID 59861207
N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine
CID 59841653
4-[4-[bis(4-methylnaphthalen-1-yl)amino]phenyl]benzoic acid
CID 139962476
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
CID 23568249
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine
CID 168837065
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300

Frequently Asked Questions

What is the IUPAC name of N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine?
The IUPAC name of N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine (CID 121444405) is N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine.
What is the SMILES notation for N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine?
The canonical SMILES for N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine is Cc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccc(C)c5ccccc45)c4ccccc34)c3ccccc23)c2ccccc12.
What is the InChIKey of N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine?
The InChIKey is UWIKMAYPEQDYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-41-37-39-57(47-27-11-9-25-45(41)47)63(43-21-5-3-6-22-43)61-53-33-17-13-29-49(53)59(50-30-14-18-34-54(50)61)60-51-31-15-19-35-55(51)62(56-36-20-16-32-52(56)60)64(44-23-7-4-8-24-44)58-40-38-42(2)46-26-10-12-28-48(46)58/h3-40H,1-2H3.
What are the key properties of N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine?
N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine has a molecular weight of 817.05 g/mol, XLogP of 17.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine is sourced from PubChem (CID 121444405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).