N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline

C64H56N2 — CID 59523896

IUPACN-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline
SMILESCCCc1ccc(-c2ccc(Nc3ccc(-c4cc(C)c(-c5c(C)cc(-c6ccc(Nc7ccc(-c8ccc(CCC)cc8)cc7)cc6)c6ccccc56)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C64H56N2/c1-5-11-45-17-21-47(22-18-45)49-25-33-53(34-26-49)65-55-37-29-51(30-38-55)61-41-43(3)63(59-15-9-7-13-57(59)61)64-44(4)42-62(58-14-8-10-16-60(58)64)52-31-39-56(40-32-52)66-54-35-27-50(28-36-54)48-23-19-46(12-6-2)20-24-48/h7-10,13-42,65-66H,5-6,11-12H2,1-4H3
InChIKeyIVQJPPAJRNSQIC-UHFFFAOYSA-N
MW853.17 g/mol
LogP18.34
Rot. Bonds13

About N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline

N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline (PubChem CID 59523896) has the molecular formula C64H56N2 and a molecular weight of 853.17 g/mol. Its IUPAC name is N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline
PubChem CID59523896
Molecular FormulaC64H56N2
Molecular Weight853.17 g/mol
Exact Mass852.44
IUPAC NameN-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline
SMILESCCCc1ccc(-c2ccc(Nc3ccc(-c4cc(C)c(-c5c(C)cc(-c6ccc(Nc7ccc(-c8ccc(CCC)cc8)cc7)cc6)c6ccccc56)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C64H56N2/c1-5-11-45-17-21-47(22-18-45)49-25-33-53(34-26-49)65-55-37-29-51(30-38-55)61-41-43(3)63(59-15-9-7-13-57(59)61)64-44(4)42-62(58-14-8-10-16-60(58)64)52-31-39-56(40-32-52)66-54-35-27-50(28-36-54)48-23-19-46(12-6-2)20-24-48/h7-10,13-42,65-66H,5-6,11-12H2,1-4H3
InChIKeyIVQJPPAJRNSQIC-UHFFFAOYSA-N
XLogP18.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.17
LogP ≤ 518.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline with MolForge

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Related Compounds

1-methyl-4-phenyl-2-(4-propylphenyl)benzene
CID 123627409
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
3-ethyl-N-[4-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-1-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline
CID 58050735
4-[2,5-dihexyl-4-(2-methyl-4-phenylphenyl)phenyl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline
CID 134560044
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
3-(3,6-ditert-butylcarbazol-9-yl)-N-[4-(4-propylphenyl)phenyl]aniline
CID 118038099
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
2-chloro-9,10-bis(4-propylphenyl)anthracene
CID 22715362

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline?
The IUPAC name of N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline (CID 59523896) is N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline.
What is the SMILES notation for N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline?
The canonical SMILES for N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline is CCCc1ccc(-c2ccc(Nc3ccc(-c4cc(C)c(-c5c(C)cc(-c6ccc(Nc7ccc(-c8ccc(CCC)cc8)cc7)cc6)c6ccccc56)c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline?
The InChIKey is IVQJPPAJRNSQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N2/c1-5-11-45-17-21-47(22-18-45)49-25-33-53(34-26-49)65-55-37-29-51(30-38-55)61-41-43(3)63(59-15-9-7-13-57(59)61)64-44(4)42-62(58-14-8-10-16-60(58)64)52-31-39-56(40-32-52)66-54-35-27-50(28-36-54)48-23-19-46(12-6-2)20-24-48/h7-10,13-42,65-66H,5-6,11-12H2,1-4H3.
What are the key properties of N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline?
N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline has a molecular weight of 853.17 g/mol, XLogP of 18.34, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methyl-4-[2-methyl-4-[4-[4-(4-propylphenyl)anilino]phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-(4-propylphenyl)aniline is sourced from PubChem (CID 59523896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).