3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C52H40N2O2 — CID 54527686

IUPAC3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCOc1ccc2c(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cc(OC)cc7ccccc67)cc5)cc4)cc3)cccc2c1
InChIInChI=1S/C52H40N2O2/c1-55-47-32-33-50-42(34-47)13-11-19-51(50)53(43-14-5-3-6-15-43)45-28-24-39(25-29-45)37-20-22-38(23-21-37)40-26-30-46(31-27-40)54(44-16-7-4-8-17-44)52-36-48(56-2)35-41-12-9-10-18-49(41)52/h3-36H,1-2H3
InChIKeyYUGLWEUGTCUOQL-UHFFFAOYSA-N
MW724.90 g/mol
LogP14.28
Rot. Bonds10

About 3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 54527686) has the molecular formula C52H40N2O2 and a molecular weight of 724.90 g/mol. Its IUPAC name is 3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID54527686
Molecular FormulaC52H40N2O2
Molecular Weight724.90 g/mol
Exact Mass724.31
IUPAC Name3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCOc1ccc2c(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cc(OC)cc7ccccc67)cc5)cc4)cc3)cccc2c1
InChIInChI=1S/C52H40N2O2/c1-55-47-32-33-50-42(34-47)13-11-19-51(50)53(43-14-5-3-6-15-43)45-28-24-39(25-29-45)37-20-22-38(23-21-37)40-26-30-46(31-27-40)54(44-16-7-4-8-17-44)52-36-48(56-2)35-41-12-9-10-18-49(41)52/h3-36H,1-2H3
InChIKeyYUGLWEUGTCUOQL-UHFFFAOYSA-N
XLogP14.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.90
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945
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
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 59431567
1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
CID 59907395
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
N,N-bis(4-phenylphenyl)-4-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline;6-methoxy-N-[4-[(E)-2-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-2-[4-(N-phenanthren-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160818300
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
CID 58807472

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of 3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 54527686) is 3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for 3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is COc1ccc2c(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cc(OC)cc7ccccc67)cc5)cc4)cc3)cccc2c1.
What is the InChIKey of 3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is YUGLWEUGTCUOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2O2/c1-55-47-32-33-50-42(34-47)13-11-19-51(50)53(43-14-5-3-6-15-43)45-28-24-39(25-29-45)37-20-22-38(23-21-37)40-26-30-46(31-27-40)54(44-16-7-4-8-17-44)52-36-48(56-2)35-41-12-9-10-18-49(41)52/h3-36H,1-2H3.
What are the key properties of 3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 724.90 g/mol, XLogP of 14.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[4-[4-(N-(6-methoxynaphthalen-1-yl)anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 54527686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).