N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine

C48H42N2 — CID 170040436

IUPACN-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine
SMILESC=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CC)cc4)c4cccc5c4C=CCC5)cc3)cc2)c2cccc3c2C=CCC3)cc1
InChIInChI=1S/C48H42N2/c1-3-35-19-27-41(28-20-35)49(47-17-9-13-39-11-5-7-15-45(39)47)43-31-23-37(24-32-43)38-25-33-44(34-26-38)50(42-29-21-36(4-2)22-30-42)48-18-10-14-40-12-6-8-16-46(40)48/h3,7-10,13-34H,1,4-6,11-12H2,2H3
InChIKeyITDKZYZWVJPRSK-UHFFFAOYSA-N
MW646.88 g/mol
LogP13.42
Rot. Bonds9

About N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine

N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine (PubChem CID 170040436) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine
PubChem CID170040436
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC NameN-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine
SMILESC=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CC)cc4)c4cccc5c4C=CCC5)cc3)cc2)c2cccc3c2C=CCC3)cc1
InChIInChI=1S/C48H42N2/c1-3-35-19-27-41(28-20-35)49(47-17-9-13-39-11-5-7-15-45(39)47)43-31-23-37(24-32-43)38-25-33-44(34-26-38)50(42-29-21-36(4-2)22-30-42)48-18-10-14-40-12-6-8-16-46(40)48/h3,7-10,13-34H,1,4-6,11-12H2,2H3
InChIKeyITDKZYZWVJPRSK-UHFFFAOYSA-N
XLogP13.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
N-(5,6-dihydronaphthalen-1-yl)-6-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N-(4-phenylphenyl)naphthalen-2-amine;ethane
CID 143727348
4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 143685003
N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine
CID 145093930
N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 155148864
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 163927412
N-(4-ethenylphenyl)-4-ethyl-N-[4-[4-(1-ethyl-3-methylidenecyclohexyl)phenyl]phenyl]aniline
CID 145346084
N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline
CID 59800861
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
1-ethenyl-3-[4-(4-ethylphenyl)phenyl]benzene
CID 174010619
N-[(4-ethenylphenyl)methyl]-N,5-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
CID 177365047

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine?
The IUPAC name of N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine (CID 170040436) is N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine?
The canonical SMILES for N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine is C=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CC)cc4)c4cccc5c4C=CCC5)cc3)cc2)c2cccc3c2C=CCC3)cc1.
What is the InChIKey of N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine?
The InChIKey is ITDKZYZWVJPRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/c1-3-35-19-27-41(28-20-35)49(47-17-9-13-39-11-5-7-15-45(39)47)43-31-23-37(24-32-43)38-25-33-44(34-26-38)50(42-29-21-36(4-2)22-30-42)48-18-10-14-40-12-6-8-16-46(40)48/h3,7-10,13-34H,1,4-6,11-12H2,2H3.
What are the key properties of N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine?
N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine has a molecular weight of 646.88 g/mol, XLogP of 13.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine is sourced from PubChem (CID 170040436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).