5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine

C52H46N2 — CID 170222950

IUPAC5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3cccc(-c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c3)c3cccc4ccccc34)cccc21
InChIInChI=1S/C52H46N2/c1-51(2)33-34-52(3,4)50-46(51)29-16-32-49(50)54(48-31-15-20-38-18-9-11-28-45(38)48)43-26-13-22-40(36-43)39-21-12-25-42(35-39)53(41-23-6-5-7-24-41)47-30-14-19-37-17-8-10-27-44(37)47/h5-32,35-36H,33-34H2,1-4H3
InChIKeyNRLZQUFYMPSCHQ-UHFFFAOYSA-N
MW698.95 g/mol
LogP14.95
Rot. Bonds7

About 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine

5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine (PubChem CID 170222950) has the molecular formula C52H46N2 and a molecular weight of 698.95 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine
PubChem CID170222950
Molecular FormulaC52H46N2
Molecular Weight698.95 g/mol
Exact Mass698.37
IUPAC Name5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3cccc(-c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c3)c3cccc4ccccc34)cccc21
InChIInChI=1S/C52H46N2/c1-51(2)33-34-52(3,4)50-46(51)29-16-32-49(50)54(48-31-15-20-38-18-9-11-28-45(38)48)43-26-13-22-40(36-43)39-21-12-25-42(35-39)53(41-23-6-5-7-24-41)47-30-14-19-37-17-8-10-27-44(37)47/h5-32,35-36H,33-34H2,1-4H3
InChIKeyNRLZQUFYMPSCHQ-UHFFFAOYSA-N
XLogP14.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.95
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine
CID 170222900
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170223504
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445032
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176594814
N-phenyl-N-[4-[4-(N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 170223047
N,N-diphenylnaphthalen-1-amine
CID 11392281
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
9,9-dimethyl-N-naphthalen-1-yl-1-phenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 167197290
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine?
The IUPAC name of 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine (CID 170222950) is 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine.
What is the SMILES notation for 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine?
The canonical SMILES for 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine is CC1(C)CCC(C)(C)c2c(N(c3cccc(-c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c3)c3cccc4ccccc34)cccc21.
What is the InChIKey of 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine?
The InChIKey is NRLZQUFYMPSCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46N2/c1-51(2)33-34-52(3,4)50-46(51)29-16-32-49(50)54(48-31-15-20-38-18-9-11-28-45(38)48)43-26-13-22-40(36-43)39-21-12-25-42(35-39)53(41-23-6-5-7-24-41)47-30-14-19-37-17-8-10-27-44(37)47/h5-32,35-36H,33-34H2,1-4H3.
What are the key properties of 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine?
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine has a molecular weight of 698.95 g/mol, XLogP of 14.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine is sourced from PubChem (CID 170222950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).