2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile

C54H40N4O2 — CID 77422928

IUPAC2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
SMILESCOc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4c(C#N)c(C=Cc5ccc(N(c6ccccc6)c6ccc(CO)cc6)cc5)ccc4c3C#N)cc2)cc1
InChIInChI=1S/C54H40N4O2/c1-60-50-32-30-49(31-33-50)58(45-10-6-3-7-11-45)47-26-16-40(17-27-47)13-21-43-23-35-51-52(54(43)37-56)34-22-42(53(51)36-55)20-12-39-14-24-46(25-15-39)57(44-8-4-2-5-9-44)48-28-18-41(38-59)19-29-48/h2-35,59H,38H2,1H3
InChIKeyFVSZQENXFVINHT-UHFFFAOYSA-N
MW776.94 g/mol
LogP13.36
Rot. Bonds12

About 2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile

2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile (PubChem CID 77422928) has the molecular formula C54H40N4O2 and a molecular weight of 776.94 g/mol. Its IUPAC name is 2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile.

Molecular Properties

Compound Name2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
PubChem CID77422928
Molecular FormulaC54H40N4O2
Molecular Weight776.94 g/mol
Exact Mass776.32
IUPAC Name2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
SMILESCOc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4c(C#N)c(C=Cc5ccc(N(c6ccccc6)c6ccc(CO)cc6)cc5)ccc4c3C#N)cc2)cc1
InChIInChI=1S/C54H40N4O2/c1-60-50-32-30-49(31-33-50)58(45-10-6-3-7-11-45)47-26-16-40(17-27-47)13-21-43-23-35-51-52(54(43)37-56)34-22-42(53(51)36-55)20-12-39-14-24-46(25-15-39)57(44-8-4-2-5-9-44)48-28-18-41(38-59)19-29-48/h2-35,59H,38H2,1H3
InChIKeyFVSZQENXFVINHT-UHFFFAOYSA-N
XLogP13.36
TPSA83.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 513.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
CID 11297254
5-isocyano-2,6-bis[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1-carbonitrile
CID 18338881
5-isocyano-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-2-methylnaphthalene-1-carbonitrile
CID 59751569
2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile
CID 18338876
4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 59055952
2,6-bis[2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
CID 89372318
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
3-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
CID 89242616
N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
CID 59117636
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
2,6-bis[2-[4-(diethylamino)phenyl]ethenyl]naphthalene-1-carbonitrile;2,6-bis[2-[4-[4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]naphthalene-1-carbonitrile;2,6-bis[2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]naphthalene-1-carbonitrile;N-[4-[2-[5-bromo-6-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-phenylaniline
CID 159942973
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile?
The IUPAC name of 2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile (CID 77422928) is 2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile.
What is the SMILES notation for 2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile?
The canonical SMILES for 2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile is COc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4c(C#N)c(C=Cc5ccc(N(c6ccccc6)c6ccc(CO)cc6)cc5)ccc4c3C#N)cc2)cc1.
What is the InChIKey of 2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile?
The InChIKey is FVSZQENXFVINHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N4O2/c1-60-50-32-30-49(31-33-50)58(45-10-6-3-7-11-45)47-26-16-40(17-27-47)13-21-43-23-35-51-52(54(43)37-56)34-22-42(53(51)36-55)20-12-39-14-24-46(25-15-39)57(44-8-4-2-5-9-44)48-28-18-41(38-59)19-29-48/h2-35,59H,38H2,1H3.
What are the key properties of 2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile?
2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile has a molecular weight of 776.94 g/mol, XLogP of 13.36, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile is sourced from PubChem (CID 77422928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).