4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine

C90H90N2 — CID 59412892

IUPAC4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine
SMILESC=Cc1cc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)c(CCCCCCCC)c5)c5cc(C)c(-c6c(C)cc(C)c7ccccc67)c6ccccc56)cc4)cc3)c3ccc(-c4ccccc4)c(CCCCCCCC)c3)cc2)ccc1C
InChIInChI=1S/C90H90N2/c1-8-11-13-15-17-21-35-75-62-80(55-57-83(75)72-31-23-19-24-32-72)91(78-51-47-71(48-52-78)74-42-41-64(4)68(10-3)61-74)77-49-43-69(44-50-77)70-45-53-79(54-46-70)92(81-56-58-84(73-33-25-20-26-34-73)76(63-81)36-22-18-16-14-12-9-2)88-60-67(7)90(87-40-30-28-38-85(87)88)89-66(6)59-65(5)82-37-27-29-39-86(82)89/h10,19-20,23-34,37-63H,3,8-9,11-18,21-22,35-36H2,1-2,4-7H3
InChIKeySCOQYQHEQDQXKS-UHFFFAOYSA-N
MW1199.72 g/mol
LogP26.95
Rot. Bonds26

About 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine

4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine (PubChem CID 59412892) has the molecular formula C90H90N2 and a molecular weight of 1199.72 g/mol. Its IUPAC name is 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine
PubChem CID59412892
Molecular FormulaC90H90N2
Molecular Weight1199.72 g/mol
Exact Mass1198.71
IUPAC Name4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine
SMILESC=Cc1cc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)c(CCCCCCCC)c5)c5cc(C)c(-c6c(C)cc(C)c7ccccc67)c6ccccc56)cc4)cc3)c3ccc(-c4ccccc4)c(CCCCCCCC)c3)cc2)ccc1C
InChIInChI=1S/C90H90N2/c1-8-11-13-15-17-21-35-75-62-80(55-57-83(75)72-31-23-19-24-32-72)91(78-51-47-71(48-52-78)74-42-41-64(4)68(10-3)61-74)77-49-43-69(44-50-77)70-45-53-79(54-46-70)92(81-56-58-84(73-33-25-20-26-34-73)76(63-81)36-22-18-16-14-12-9-2)88-60-67(7)90(87-40-30-28-38-85(87)88)89-66(6)59-65(5)82-37-27-29-39-86(82)89/h10,19-20,23-34,37-63H,3,8-9,11-18,21-22,35-36H2,1-2,4-7H3
InChIKeySCOQYQHEQDQXKS-UHFFFAOYSA-N
XLogP26.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.72
LogP ≤ 526.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine with MolForge

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Related Compounds

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
N-(4-bromophenyl)-N-[4-[4-[4-[4-(N-(4-bromophenyl)-4-phenylanilino)phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-4-phenylaniline
CID 87103295
3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 177093097
N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline
CID 139426917
N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155761610
2,5-dihexyl-4-[3-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]-N-(3-methyl-4-phenylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 167382558
4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158040806
6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
CID 88559543
1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 161089163
4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline
CID 169304138
4-[4-(N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 58233056
4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine
CID 135128741

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine (CID 59412892) is 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine is C=Cc1cc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)c(CCCCCCCC)c5)c5cc(C)c(-c6c(C)cc(C)c7ccccc67)c6ccccc56)cc4)cc3)c3ccc(-c4ccccc4)c(CCCCCCCC)c3)cc2)ccc1C.
What is the InChIKey of 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine?
The InChIKey is SCOQYQHEQDQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H90N2/c1-8-11-13-15-17-21-35-75-62-80(55-57-83(75)72-31-23-19-24-32-72)91(78-51-47-71(48-52-78)74-42-41-64(4)68(10-3)61-74)77-49-43-69(44-50-77)70-45-53-79(54-46-70)92(81-56-58-84(73-33-25-20-26-34-73)76(63-81)36-22-18-16-14-12-9-2)88-60-67(7)90(87-40-30-28-38-85(87)88)89-66(6)59-65(5)82-37-27-29-39-86(82)89/h10,19-20,23-34,37-63H,3,8-9,11-18,21-22,35-36H2,1-2,4-7H3.
What are the key properties of 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine?
4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine has a molecular weight of 1199.72 g/mol, XLogP of 26.95, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylnaphthalen-1-yl)-N-[4-[4-[4-(3-ethenyl-4-methylphenyl)-N-(3-octyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-octyl-4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 59412892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).