N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine

C58H42N2 — CID 123939145

IUPACN,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine
SMILESc1ccc(N(C2=c3ccccc3=C(c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)c4ccccc34)CC2)c2ccccc2)cc1
InChIInChI=1S/C58H42N2/c1-5-21-41(22-6-1)59(42-23-7-2-8-24-42)55-39-37-53(45-29-13-15-31-47(45)55)57-49-33-17-19-35-51(49)58(52-36-20-18-34-50(52)57)54-38-40-56(48-32-16-14-30-46(48)54)60(43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-37,39H,38,40H2
InChIKeyPYRSGYLUAIAEHC-UHFFFAOYSA-N
MW766.99 g/mol
LogP14.22
Rot. Bonds8

About N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine

N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine (PubChem CID 123939145) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine
PubChem CID123939145
Molecular FormulaC58H42N2
Molecular Weight766.99 g/mol
Exact Mass766.33
IUPAC NameN,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine
SMILESc1ccc(N(C2=c3ccccc3=C(c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)c4ccccc34)CC2)c2ccccc2)cc1
InChIInChI=1S/C58H42N2/c1-5-21-41(22-6-1)59(42-23-7-2-8-24-42)55-39-37-53(45-29-13-15-31-47(45)55)57-49-33-17-19-35-51(49)58(52-36-20-18-34-50(52)57)54-38-40-56(48-32-16-14-30-46(48)54)60(43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-37,39H,38,40H2
InChIKeyPYRSGYLUAIAEHC-UHFFFAOYSA-N
XLogP14.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 514.22
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
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
CID 59194325
N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine
CID 121444325
N,N-diphenyl-4-[10-[1-[2-[1-(N-phenylanilino)ethenyl]phenyl]ethenyl]anthracen-9-yl]naphthalen-1-amine
CID 135128661
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
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine
CID 59412956
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine
CID 121384299
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-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine
CID 58898602

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine?
The IUPAC name of N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine (CID 123939145) is N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine is c1ccc(N(C2=c3ccccc3=C(c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)c4ccccc34)CC2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine?
The InChIKey is PYRSGYLUAIAEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-5-21-41(22-6-1)59(42-23-7-2-8-24-42)55-39-37-53(45-29-13-15-31-47(45)55)57-49-33-17-19-35-51(49)58(52-36-20-18-34-50(52)57)54-38-40-56(48-32-16-14-30-46(48)54)60(43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-37,39H,38,40H2.
What are the key properties of N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine?
N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine has a molecular weight of 766.99 g/mol, XLogP of 14.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[10-[4-(N-phenylanilino)-2,3-dihydronaphthalen-1-yl]anthracen-9-yl]naphthalen-1-amine is sourced from PubChem (CID 123939145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).