N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine

C48H33NS — CID 59801134

IUPACN-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine
SMILESC(=C/c1ccc2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2c1)\c1ccc2cc(-c3ccc(-c4ccccc4)s3)ccc2c1
InChIInChI=1S/C48H33NS/c1-3-10-37(11-4-1)47-27-28-48(50-47)43-22-21-39-29-34(17-19-41(39)31-43)15-16-35-18-20-42-33-46(26-24-40(42)30-35)49(44-13-5-2-6-14-44)45-25-23-36-9-7-8-12-38(36)32-45/h1-33H/b16-15+
InChIKeyKRECZEBPKHWNSM-FOCLMDBBSA-N
MW655.87 g/mol
LogP14.18
Rot. Bonds7

About N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine

N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine (PubChem CID 59801134) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine
PubChem CID59801134
Molecular FormulaC48H33NS
Molecular Weight655.87 g/mol
Exact Mass655.23
IUPAC NameN-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine
SMILESC(=C/c1ccc2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2c1)\c1ccc2cc(-c3ccc(-c4ccccc4)s3)ccc2c1
InChIInChI=1S/C48H33NS/c1-3-10-37(11-4-1)47-27-28-48(50-47)43-22-21-39-29-34(17-19-41(39)31-43)15-16-35-18-20-42-33-46(26-24-40(42)30-35)49(44-13-5-2-6-14-44)45-25-23-36-9-7-8-12-38(36)32-45/h1-33H/b16-15+
InChIKeyKRECZEBPKHWNSM-FOCLMDBBSA-N
XLogP14.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.87
LogP ≤ 514.18
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

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
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 164820260
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-[4-(5-phenylthiophen-2-yl)-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 159275595
N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 59650430

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine (CID 59801134) is N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine is C(=C/c1ccc2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2c1)\c1ccc2cc(-c3ccc(-c4ccccc4)s3)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine?
The InChIKey is KRECZEBPKHWNSM-FOCLMDBBSA-N. The full InChI is InChI=1S/C48H33NS/c1-3-10-37(11-4-1)47-27-28-48(50-47)43-22-21-39-29-34(17-19-41(39)31-43)15-16-35-18-20-42-33-46(26-24-40(42)30-35)49(44-13-5-2-6-14-44)45-25-23-36-9-7-8-12-38(36)32-45/h1-33H/b16-15+.
What are the key properties of N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine?
N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine has a molecular weight of 655.87 g/mol, XLogP of 14.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine is sourced from PubChem (CID 59801134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).