N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine

C51H46N2 — CID 58133213

IUPACN-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
SMILESCCC(C)C(c1ccc(N(c2ccc(C)cc2)c2ccc3ccccc3c2)cc1)c1ccc(N(c2ccc(C)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C51H46N2/c1-5-38(4)51(41-20-28-47(29-21-41)52(45-24-14-36(2)15-25-45)49-32-18-39-10-6-8-12-43(39)34-49)42-22-30-48(31-23-42)53(46-26-16-37(3)17-27-46)50-33-19-40-11-7-9-13-44(40)35-50/h6-35,38,51H,5H2,1-4H3
InChIKeyGYNMKWPLSBSORT-UHFFFAOYSA-N
MW686.94 g/mol
LogP14.73
Rot. Bonds10

About N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine

N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine (PubChem CID 58133213) has the molecular formula C51H46N2 and a molecular weight of 686.94 g/mol. Its IUPAC name is N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
PubChem CID58133213
Molecular FormulaC51H46N2
Molecular Weight686.94 g/mol
Exact Mass686.37
IUPAC NameN-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
SMILESCCC(C)C(c1ccc(N(c2ccc(C)cc2)c2ccc3ccccc3c2)cc1)c1ccc(N(c2ccc(C)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C51H46N2/c1-5-38(4)51(41-20-28-47(29-21-41)52(45-24-14-36(2)15-25-45)49-32-18-39-10-6-8-12-43(39)34-49)42-22-30-48(31-23-42)53(46-26-16-37(3)17-27-46)50-33-19-40-11-7-9-13-44(40)35-50/h6-35,38,51H,5H2,1-4H3
InChIKeyGYNMKWPLSBSORT-UHFFFAOYSA-N
XLogP14.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.94
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 90936439
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140
1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 161386948
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
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
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
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
6-N,6-N,16-N,16-N-tetrakis(4-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032335
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine (CID 58133213) is N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine is CCC(C)C(c1ccc(N(c2ccc(C)cc2)c2ccc3ccccc3c2)cc1)c1ccc(N(c2ccc(C)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The InChIKey is GYNMKWPLSBSORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46N2/c1-5-38(4)51(41-20-28-47(29-21-41)52(45-24-14-36(2)15-25-45)49-32-18-39-10-6-8-12-43(39)34-49)42-22-30-48(31-23-42)53(46-26-16-37(3)17-27-46)50-33-19-40-11-7-9-13-44(40)35-50/h6-35,38,51H,5H2,1-4H3.
What are the key properties of N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine has a molecular weight of 686.94 g/mol, XLogP of 14.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine is sourced from PubChem (CID 58133213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).