5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine

C44H42N2 — CID 170222900

IUPAC5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc3)cccc21
InChIInChI=1S/C44H42N2/c1-43(2)30-31-44(3,4)42-40(43)24-15-25-41(42)46(37-21-12-7-13-22-37)38-28-26-33(27-29-38)34-16-14-23-39(32-34)45(35-17-8-5-9-18-35)36-19-10-6-11-20-36/h5-29,32H,30-31H2,1-4H3
InChIKeyXZFXKYUVABVVQS-UHFFFAOYSA-N
MW598.83 g/mol
LogP12.64
Rot. Bonds7

About 5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine

5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine (PubChem CID 170222900) has the molecular formula C44H42N2 and a molecular weight of 598.83 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine
PubChem CID170222900
Molecular FormulaC44H42N2
Molecular Weight598.83 g/mol
Exact Mass598.33
IUPAC Name5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine
SMILESCC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc3)cccc21
InChIInChI=1S/C44H42N2/c1-43(2)30-31-44(3,4)42-40(43)24-15-25-41(42)46(37-21-12-7-13-22-37)38-28-26-33(27-29-38)34-16-14-23-39(32-34)45(35-17-8-5-9-18-35)36-19-10-6-11-20-36/h5-29,32H,30-31H2,1-4H3
InChIKeyXZFXKYUVABVVQS-UHFFFAOYSA-N
XLogP12.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.83
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170222776
7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176595541
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
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-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735973
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176595371
7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-thioxanthene]-3'-amine
CID 176595404
5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176595004

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine?
The IUPAC name of 5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine (CID 170222900) is 5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine.
What is the SMILES notation for 5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine?
The canonical SMILES for 5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine is CC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc3)cccc21.
What is the InChIKey of 5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine?
The InChIKey is XZFXKYUVABVVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2/c1-43(2)30-31-44(3,4)42-40(43)24-15-25-41(42)46(37-21-12-7-13-22-37)38-28-26-33(27-29-38)34-16-14-23-39(32-34)45(35-17-8-5-9-18-35)36-19-10-6-11-20-36/h5-29,32H,30-31H2,1-4H3.
What are the key properties of 5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine?
5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine has a molecular weight of 598.83 g/mol, XLogP of 12.64, 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-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine is sourced from PubChem (CID 170222900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).