N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline

C38H31NO2 — CID 59951432

IUPACN,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline
SMILESC(=C/c1ccc2ccccc2c1)\c1ccc(N(/C=C2\CCOc3ccccc32)/C=C2\CCOc3ccccc32)cc1
InChIInChI=1S/C38H31NO2/c1-2-8-31-25-29(15-18-30(31)7-1)14-13-28-16-19-34(20-17-28)39(26-32-21-23-40-37-11-5-3-9-35(32)37)27-33-22-24-41-38-12-6-4-10-36(33)38/h1-20,25-27H,21-24H2/b14-13+,32-26+,33-27+
InChIKeyRMGOWIGPYCGYOS-CQVJKFONSA-N
MW533.67 g/mol
LogP9.46
Rot. Bonds5

About N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline

N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline (PubChem CID 59951432) has the molecular formula C38H31NO2 and a molecular weight of 533.67 g/mol. Its IUPAC name is N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline.

Molecular Properties

Compound NameN,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline
PubChem CID59951432
Molecular FormulaC38H31NO2
Molecular Weight533.67 g/mol
Exact Mass533.24
IUPAC NameN,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline
SMILESC(=C/c1ccc2ccccc2c1)\c1ccc(N(/C=C2\CCOc3ccccc32)/C=C2\CCOc3ccccc32)cc1
InChIInChI=1S/C38H31NO2/c1-2-8-31-25-29(15-18-30(31)7-1)14-13-28-16-19-34(20-17-28)39(26-32-21-23-40-37-11-5-3-9-35(32)37)27-33-22-24-41-38-12-6-4-10-36(33)38/h1-20,25-27H,21-24H2/b14-13+,32-26+,33-27+
InChIKeyRMGOWIGPYCGYOS-CQVJKFONSA-N
XLogP9.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
CID 59951443
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
CID 59156066
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
CID 54058053
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine
CID 58583928
2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde
CID 87827068
tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
CID 58942119
naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene
CID 72565674

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline?
The IUPAC name of N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline (CID 59951432) is N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline.
What is the SMILES notation for N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline?
The canonical SMILES for N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline is C(=C/c1ccc2ccccc2c1)\c1ccc(N(/C=C2\CCOc3ccccc32)/C=C2\CCOc3ccccc32)cc1.
What is the InChIKey of N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline?
The InChIKey is RMGOWIGPYCGYOS-CQVJKFONSA-N. The full InChI is InChI=1S/C38H31NO2/c1-2-8-31-25-29(15-18-30(31)7-1)14-13-28-16-19-34(20-17-28)39(26-32-21-23-40-37-11-5-3-9-35(32)37)27-33-22-24-41-38-12-6-4-10-36(33)38/h1-20,25-27H,21-24H2/b14-13+,32-26+,33-27+.
What are the key properties of N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline?
N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline has a molecular weight of 533.67 g/mol, XLogP of 9.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-naphthalen-2-ylethenyl]aniline is sourced from PubChem (CID 59951432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).