N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine

C50H33N — CID 153357571

IUPACN-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine
SMILESc1cc(-c2cccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)c2)cc(-c2cccc3c4ccccc4c4ccccc4c23)c1
InChIInChI=1S/C50H33N/c1-2-15-37-32-41(30-29-34(37)13-1)51(49-28-11-16-35-14-3-4-21-42(35)49)40-20-10-18-38(33-40)36-17-9-19-39(31-36)43-26-12-27-48-46-23-6-5-22-44(46)45-24-7-8-25-47(45)50(43)48/h1-33H
InChIKeyGUTHKLKUUGNUJZ-UHFFFAOYSA-N
MW647.82 g/mol
LogP14.26
Rot. Bonds5

About N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine

N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine (PubChem CID 153357571) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine
PubChem CID153357571
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC NameN-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine
SMILESc1cc(-c2cccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)c2)cc(-c2cccc3c4ccccc4c4ccccc4c23)c1
InChIInChI=1S/C50H33N/c1-2-15-37-32-41(30-29-34(37)13-1)51(49-28-11-16-35-14-3-4-21-42(35)49)40-20-10-18-38(33-40)36-17-9-19-39(31-36)43-26-12-27-48-46-23-6-5-22-44(46)45-24-7-8-25-47(45)50(43)48/h1-33H
InChIKeyGUTHKLKUUGNUJZ-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine
CID 167272668
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
N-[3-[4-(N-[4-[3-[3-(N-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 122414006
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 167324150
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine
CID 167272465
N,3-diphenyl-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;3-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161474409
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)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 159824921
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine (CID 153357571) is N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine is c1cc(-c2cccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)c2)cc(-c2cccc3c4ccccc4c4ccccc4c23)c1.
What is the InChIKey of N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is GUTHKLKUUGNUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-2-15-37-32-41(30-29-34(37)13-1)51(49-28-11-16-35-14-3-4-21-42(35)49)40-20-10-18-38(33-40)36-17-9-19-39(31-36)43-26-12-27-48-46-23-6-5-22-44(46)45-24-7-8-25-47(45)50(43)48/h1-33H.
What are the key properties of N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine?
N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 647.82 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 153357571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).