N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline

C35H31NO3 — CID 59951443

IUPACN,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(/C=C/c2ccc(N(/C=C3\CCOc4ccccc43)/C=C3\CCOc4ccccc43)cc2)cc1
InChIInChI=1S/C35H31NO3/c1-37-31-18-14-27(15-19-31)11-10-26-12-16-30(17-13-26)36(24-28-20-22-38-34-8-4-2-6-32(28)34)25-29-21-23-39-35-9-5-3-7-33(29)35/h2-19,24-25H,20-23H2,1H3/b11-10+,28-24+,29-25+
InChIKeySUJRGGLUODNWFQ-WMNOGXRYSA-N
MW513.64 g/mol
LogP8.32
Rot. Bonds6

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

N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline (PubChem CID 59951443) has the molecular formula C35H31NO3 and a molecular weight of 513.64 g/mol. Its IUPAC name is N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
PubChem CID59951443
Molecular FormulaC35H31NO3
Molecular Weight513.64 g/mol
Exact Mass513.23
IUPAC NameN,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(/C=C/c2ccc(N(/C=C3\CCOc4ccccc43)/C=C3\CCOc4ccccc43)cc2)cc1
InChIInChI=1S/C35H31NO3/c1-37-31-18-14-27(15-19-31)11-10-26-12-16-30(17-13-26)36(24-28-20-22-38-34-8-4-2-6-32(28)34)25-29-21-23-39-35-9-5-3-7-33(29)35/h2-19,24-25H,20-23H2,1H3/b11-10+,28-24+,29-25+
InChIKeySUJRGGLUODNWFQ-WMNOGXRYSA-N
XLogP8.32
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-naphthalen-2-ylethenyl]aniline
CID 59951432
4-[2-(4-methoxyphenyl)ethenyl]-N,N-bis[(1-methyl-2,3-dihydroquinolin-4-ylidene)methyl]aniline
CID 72604623
N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline
CID 54366801
N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
CID 59117636
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[(E)-2-[5-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 101398325
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline?
The IUPAC name of N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline (CID 59951443) is N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline.
What is the SMILES notation for N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline?
The canonical SMILES for N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline is COc1ccc(/C=C/c2ccc(N(/C=C3\CCOc4ccccc43)/C=C3\CCOc4ccccc43)cc2)cc1.
What is the InChIKey of N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline?
The InChIKey is SUJRGGLUODNWFQ-WMNOGXRYSA-N. The full InChI is InChI=1S/C35H31NO3/c1-37-31-18-14-27(15-19-31)11-10-26-12-16-30(17-13-26)36(24-28-20-22-38-34-8-4-2-6-32(28)34)25-29-21-23-39-35-9-5-3-7-33(29)35/h2-19,24-25H,20-23H2,1H3/b11-10+,28-24+,29-25+.
What are the key properties of N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline?
N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline has a molecular weight of 513.64 g/mol, XLogP of 8.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(E)-2,3-dihydrochromen-4-ylidenemethyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 59951443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).