N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine

C54H42N2 — CID 89065381

IUPACN-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine
SMILESC(=C/c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccc3c(c2)CCCC3)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C54H42N2/c1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54/h1-3,5-7,9-11,13-15,17-38H,4,8,12,16H2/b18-17+
InChIKeyJZNDJNOYQXFJMD-ISLYRVAYSA-N
MW718.94 g/mol
LogP15.14
Rot. Bonds8

About N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine

N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine (PubChem CID 89065381) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine
PubChem CID89065381
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC NameN-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine
SMILESC(=C/c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccc3c(c2)CCCC3)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C54H42N2/c1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54/h1-3,5-7,9-11,13-15,17-38H,4,8,12,16H2/b18-17+
InChIKeyJZNDJNOYQXFJMD-ISLYRVAYSA-N
XLogP15.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde
CID 19030131
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-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076
N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89331361
2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
CID 54058053
N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-phenylbicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 121412737
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine?
The IUPAC name of N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine (CID 89065381) is N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine?
The canonical SMILES for N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine is C(=C/c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccc3c(c2)CCCC3)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine?
The InChIKey is JZNDJNOYQXFJMD-ISLYRVAYSA-N. The full InChI is InChI=1S/C54H42N2/c1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54/h1-3,5-7,9-11,13-15,17-38H,4,8,12,16H2/b18-17+.
What are the key properties of N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine?
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine has a molecular weight of 718.94 g/mol, XLogP of 15.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine is sourced from PubChem (CID 89065381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).