N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine

C52H38N2 — CID 70965451

IUPACN-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine
SMILESC1=C(N(c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)c2ccccc2CC1
InChIInChI=1S/C52H38N2/c1-5-21-45-39(13-1)17-9-25-49(45)53(50-26-10-18-40-14-2-6-22-46(40)50)43-33-29-37(30-34-43)38-31-35-44(36-32-38)54(51-27-11-19-41-15-3-7-23-47(41)51)52-28-12-20-42-16-4-8-24-48(42)52/h1-11,13-19,21-36H,12,20H2
InChIKeyKOMLXIHHQWBBGV-UHFFFAOYSA-N
MW690.89 g/mol
LogP14.41
Rot. Bonds7

About N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine

N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine (PubChem CID 70965451) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine
PubChem CID70965451
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC NameN-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine
SMILESC1=C(N(c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)c2ccccc2CC1
InChIInChI=1S/C52H38N2/c1-5-21-45-39(13-1)17-9-25-49(45)53(50-26-10-18-40-14-2-6-22-46(40)50)43-33-29-37(30-34-43)38-31-35-44(36-32-38)54(51-27-11-19-41-15-3-7-23-47(41)51)52-28-12-20-42-16-4-8-24-48(42)52/h1-11,13-19,21-36H,12,20H2
InChIKeyKOMLXIHHQWBBGV-UHFFFAOYSA-N
XLogP14.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine
CID 143485799
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
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
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
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-[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-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,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-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine (CID 70965451) is N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine is C1=C(N(c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)c2ccccc2CC1.
What is the InChIKey of N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is KOMLXIHHQWBBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-5-21-45-39(13-1)17-9-25-49(45)53(50-26-10-18-40-14-2-6-22-46(40)50)43-33-29-37(30-34-43)38-31-35-44(36-32-38)54(51-27-11-19-41-15-3-7-23-47(41)51)52-28-12-20-42-16-4-8-24-48(42)52/h1-11,13-19,21-36H,12,20H2.
What are the key properties of N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine?
N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 690.89 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 70965451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).