N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine

C56H44N2 — CID 19991278

IUPACN-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine
SMILESCc1ccc2c(N(c3ccc(-c4ccc(N(c5cccc6cc(C)ccc56)c5cccc6cc(C)ccc56)cc4)cc3)c3cccc4cc(C)ccc34)cccc2c1
InChIInChI=1S/C56H44N2/c1-37-17-29-49-43(33-37)9-5-13-53(49)57(54-14-6-10-44-34-38(2)18-30-50(44)54)47-25-21-41(22-26-47)42-23-27-48(28-24-42)58(55-15-7-11-45-35-39(3)19-31-51(45)55)56-16-8-12-46-36-40(4)20-32-52(46)56/h5-36H,1-4H3
InChIKeyLNAHPPRHDLIIQL-UHFFFAOYSA-N
MW744.98 g/mol
LogP16.14
Rot. Bonds7

About N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine

N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine (PubChem CID 19991278) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine
PubChem CID19991278
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC NameN-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine
SMILESCc1ccc2c(N(c3ccc(-c4ccc(N(c5cccc6cc(C)ccc56)c5cccc6cc(C)ccc56)cc4)cc3)c3cccc4cc(C)ccc34)cccc2c1
InChIInChI=1S/C56H44N2/c1-37-17-29-49-43(33-37)9-5-13-53(49)57(54-14-6-10-44-34-38(2)18-30-50(44)54)47-25-21-41(22-26-47)42-23-27-48(28-24-42)58(55-15-7-11-45-35-39(3)19-31-51(45)55)56-16-8-12-46-36-40(4)20-32-52(46)56/h5-36H,1-4H3
InChIKeyLNAHPPRHDLIIQL-UHFFFAOYSA-N
XLogP16.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 67816340
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 91237868
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-4-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N-naphthalen-1-yl-4-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N,4-N-trinaphthalen-1-ylbenzene-1,4-diamine
CID 158255176
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 161406652
1-N-[4-(4-methylphenyl)phenyl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 157265115
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431746
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine?
The IUPAC name of N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine (CID 19991278) is N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine?
The canonical SMILES for N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine is Cc1ccc2c(N(c3ccc(-c4ccc(N(c5cccc6cc(C)ccc56)c5cccc6cc(C)ccc56)cc4)cc3)c3cccc4cc(C)ccc34)cccc2c1.
What is the InChIKey of N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine?
The InChIKey is LNAHPPRHDLIIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-37-17-29-49-43(33-37)9-5-13-53(49)57(54-14-6-10-44-34-38(2)18-30-50(44)54)47-25-21-41(22-26-47)42-23-27-48(28-24-42)58(55-15-7-11-45-35-39(3)19-31-51(45)55)56-16-8-12-46-36-40(4)20-32-52(46)56/h5-36H,1-4H3.
What are the key properties of N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine?
N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine has a molecular weight of 744.98 g/mol, XLogP of 16.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine is sourced from PubChem (CID 19991278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).