1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine

C57H45N3O3 — CID 59907395

IUPAC1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
SMILESCOc1ccc(N(c2cc(N(c3ccc(OC)cc3)c3cccc4ccccc34)cc(N(c3ccc(OC)cc3)c3cccc4ccccc34)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C57H45N3O3/c1-61-49-31-25-43(26-32-49)58(55-22-10-16-40-13-4-7-19-52(40)55)46-37-47(59(44-27-33-50(62-2)34-28-44)56-23-11-17-41-14-5-8-20-53(41)56)39-48(38-46)60(45-29-35-51(63-3)36-30-45)57-24-12-18-42-15-6-9-21-54(42)57/h4-39H,1-3H3
InChIKeyZXWWMLSQFCDLBA-UHFFFAOYSA-N
MW820.01 g/mol
LogP15.58
Rot. Bonds12

About 1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine

1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine (PubChem CID 59907395) has the molecular formula C57H45N3O3 and a molecular weight of 820.01 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
PubChem CID59907395
Molecular FormulaC57H45N3O3
Molecular Weight820.01 g/mol
Exact Mass819.35
IUPAC Name1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
SMILESCOc1ccc(N(c2cc(N(c3ccc(OC)cc3)c3cccc4ccccc34)cc(N(c3ccc(OC)cc3)c3cccc4ccccc34)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C57H45N3O3/c1-61-49-31-25-43(26-32-49)58(55-22-10-16-40-13-4-7-19-52(40)55)46-37-47(59(44-27-33-50(62-2)34-28-44)56-23-11-17-41-14-5-8-20-53(41)56)39-48(38-46)60(45-29-35-51(63-3)36-30-45)57-24-12-18-42-15-6-9-21-54(42)57/h4-39H,1-3H3
InChIKeyZXWWMLSQFCDLBA-UHFFFAOYSA-N
XLogP15.58
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.01
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161212613
3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 54527686
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 122533758
4-N-[4-[4-(dimethylamino)-N-naphthalen-1-ylanilino]phenyl]-1-N,1-N-dimethyl-4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 59806587
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59246492

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine (CID 59907395) is 1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine is COc1ccc(N(c2cc(N(c3ccc(OC)cc3)c3cccc4ccccc34)cc(N(c3ccc(OC)cc3)c3cccc4ccccc34)c2)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine?
The InChIKey is ZXWWMLSQFCDLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N3O3/c1-61-49-31-25-43(26-32-49)58(55-22-10-16-40-13-4-7-19-52(40)55)46-37-47(59(44-27-33-50(62-2)34-28-44)56-23-11-17-41-14-5-8-20-53(41)56)39-48(38-46)60(45-29-35-51(63-3)36-30-45)57-24-12-18-42-15-6-9-21-54(42)57/h4-39H,1-3H3.
What are the key properties of 1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine?
1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine has a molecular weight of 820.01 g/mol, XLogP of 15.58, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine is sourced from PubChem (CID 59907395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).