N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C44H34N2 — CID 20728828

IUPACN-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC1=CC2=CC=CC(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)C2C=C1
InChIInChI=1S/C44H34N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-32,41,43H
InChIKeySRBRNGOZBLUQMO-UHFFFAOYSA-N
MW590.77 g/mol
LogP11.72
Rot. Bonds7

About N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 20728828) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID20728828
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC NameN-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC1=CC2=CC=CC(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)C2C=C1
InChIInChI=1S/C44H34N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-32,41,43H
InChIKeySRBRNGOZBLUQMO-UHFFFAOYSA-N
XLogP11.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine
CID 143570887
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
carbanide;copper;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58224687

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 20728828) is N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine is C1=CC2=CC=CC(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)C2C=C1.
What is the InChIKey of N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is SRBRNGOZBLUQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-32,41,43H.
What are the key properties of N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 590.77 g/mol, XLogP of 11.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 20728828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).