2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile

C58H42N4 — CID 89372299

IUPAC2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
SMILESCc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4c(C#N)c5cc(C=Cc6ccc(N(c7ccccc7)c7ccc(C)cc7)cc6)ccc5c(C#N)c4c3)cc2)cc1
InChIInChI=1S/C58H42N4/c1-41-13-27-49(28-14-41)61(47-9-5-3-6-10-47)51-31-21-43(22-32-51)17-19-45-25-35-53-55(37-45)57(39-59)54-36-26-46(38-56(54)58(53)40-60)20-18-44-23-33-52(34-24-44)62(48-11-7-4-8-12-48)50-29-15-42(2)16-30-50/h3-38H,1-2H3
InChIKeyUYEKPVGNBMVLBO-UHFFFAOYSA-N
MW795.00 g/mol
LogP15.63
Rot. Bonds10

About 2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile

2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile (PubChem CID 89372299) has the molecular formula C58H42N4 and a molecular weight of 795.00 g/mol. Its IUPAC name is 2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
PubChem CID89372299
Molecular FormulaC58H42N4
Molecular Weight795.00 g/mol
Exact Mass794.34
IUPAC Name2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
SMILESCc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4c(C#N)c5cc(C=Cc6ccc(N(c7ccccc7)c7ccc(C)cc7)cc6)ccc5c(C#N)c4c3)cc2)cc1
InChIInChI=1S/C58H42N4/c1-41-13-27-49(28-14-41)61(47-9-5-3-6-10-47)51-31-21-43(22-32-51)17-19-45-25-35-53-55(37-45)57(39-59)54-36-26-46(38-56(54)58(53)40-60)20-18-44-23-33-52(34-24-44)62(48-11-7-4-8-12-48)50-29-15-42(2)16-30-50/h3-38H,1-2H3
InChIKeyUYEKPVGNBMVLBO-UHFFFAOYSA-N
XLogP15.63
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

10-isocyano-6-[(Z)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9-carbonitrile
CID 152931875
10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 89242594
10-isocyano-2,6-bis[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 23576513
3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile
CID 153112763
3-[(E)-2-(N-phenylanilino)ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile
CID 143438518
9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
CID 59575076
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-methyl-N-[4-[(Z)-2-[6-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]-9,10-bis(trifluoromethyl)phenanthren-3-yl]ethenyl]phenyl]-N-phenylaniline
CID 152845856
1-methyl-8-[(Z)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile
CID 149172551
1-methyl-8-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenanthrene-3,6-dicarbonitrile
CID 163921595
10-isocyano-3-[(E)-2-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 20801884
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile?
The IUPAC name of 2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile (CID 89372299) is 2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile.
What is the SMILES notation for 2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile?
The canonical SMILES for 2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile is Cc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4c(C#N)c5cc(C=Cc6ccc(N(c7ccccc7)c7ccc(C)cc7)cc6)ccc5c(C#N)c4c3)cc2)cc1.
What is the InChIKey of 2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile?
The InChIKey is UYEKPVGNBMVLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4/c1-41-13-27-49(28-14-41)61(47-9-5-3-6-10-47)51-31-21-43(22-32-51)17-19-45-25-35-53-55(37-45)57(39-59)54-36-26-46(38-56(54)58(53)40-60)20-18-44-23-33-52(34-24-44)62(48-11-7-4-8-12-48)50-29-15-42(2)16-30-50/h3-38H,1-2H3.
What are the key properties of 2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile?
2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile has a molecular weight of 795.00 g/mol, XLogP of 15.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile is sourced from PubChem (CID 89372299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).