N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine

C46H36N2 — CID 89061076

IUPACN-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
SMILESC1=Cc2cc(N(c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc4ccccc4c3)ccc2CC1
InChIInChI=1S/C46H36N2/c1-3-15-41(16-4-1)47(42-17-5-2-6-18-42)43-27-21-35(22-28-43)19-20-36-23-29-44(30-24-36)48(45-31-25-37-11-7-9-13-39(37)33-45)46-32-26-38-12-8-10-14-40(38)34-46/h1-7,9-11,13-34H,8,12H2/b20-19+
InChIKeyFSBRXILDRMJIAE-FMQUCBEESA-N
MW616.81 g/mol
LogP12.91
Rot. Bonds8

About N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine

N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine (PubChem CID 89061076) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
PubChem CID89061076
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC NameN-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
SMILESC1=Cc2cc(N(c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc4ccccc4c3)ccc2CC1
InChIInChI=1S/C46H36N2/c1-3-15-41(16-4-1)47(42-17-5-2-6-18-42)43-27-21-35(22-28-43)19-20-36-23-29-44(30-24-36)48(45-31-25-37-11-7-9-13-39(37)33-45)46-32-26-38-12-8-10-14-40(38)34-46/h1-7,9-11,13-34H,8,12H2/b20-19+
InChIKeyFSBRXILDRMJIAE-FMQUCBEESA-N
XLogP12.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(5,6-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 167036999
2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
CID 89188215
N-[4-[4-[4-[5,6-dihydronaphthalen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 131995520
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine
CID 89065381
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(5,6-dihydronaphthalen-2-ylamino)phenyl]-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 142914454
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(7,8-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 89189824
2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 167235326
N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 145410466
2-N-cyclohexa-1,5-dien-1-yl-9-(5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-yl-2-N,6-N,6-N-triphenylanthracene-2,6-diamine
CID 88562951

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine (CID 89061076) is N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine is C1=Cc2cc(N(c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc4ccccc4c3)ccc2CC1.
What is the InChIKey of N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine?
The InChIKey is FSBRXILDRMJIAE-FMQUCBEESA-N. The full InChI is InChI=1S/C46H36N2/c1-3-15-41(16-4-1)47(42-17-5-2-6-18-42)43-27-21-35(22-28-43)19-20-36-23-29-44(30-24-36)48(45-31-25-37-11-7-9-13-39(37)33-45)46-32-26-38-12-8-10-14-40(38)34-46/h1-7,9-11,13-34H,8,12H2/b20-19+.
What are the key properties of N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine?
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine has a molecular weight of 616.81 g/mol, XLogP of 12.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 89061076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).