3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile

C149H107F3N8 — CID 159205136

IUPAC3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile
SMILESCCN(CC)c1ccc(C=Cc2ccc3c(C#N)c4ccccc4cc3c2)cc1.N#Cc1c2ccccc2cc2cc(C=Cc3ccc(N(c4ccc(C(F)(F)F)cc4)c4cccc5ccccc45)cc3)ccc12.N#Cc1c2ccccc2cc2cc(C=Cc3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)ccc12.N#Cc1c2ccccc2cc2cc(C=Cc3ccc(N(c4ccccc4)c4cccc5c4CCCC5)cc3)ccc12
InChIInChI=1S/C43H28N2.C40H25F3N2.C39H30N2.C27H24N2/c44-29-41-37-14-4-3-11-34(37)28-35-27-31(23-26-38(35)41)20-19-30-21-24-36(25-22-30)45(42-17-7-12-32-9-1-5-15-39(32)42)43-18-8-13-33-10-2-6-16-40(33)43;41-40(42,43)32-17-21-34(22-18-32)45(39-11-5-8-29-6-1-4-10-37(29)39)33-19-14-27(15-20-33)12-13-28-16-23-36-31(24-28)25-30-7-2-3-9-35(30)38(36)26-44;40-27-38-35-14-6-5-10-31(35)26-32-25-29(21-24-36(32)38)18-17-28-19-22-34(23-20-28)41(33-12-2-1-3-13-33)39-16-8-11-30-9-4-7-15-37(30)39;1-3-29(4-2)24-14-11-20(12-15-24)9-10-21-13-16-26-23(17-21)18-22-7-5-6-8-25(22)27(26)19-28/h1-28H;1-25H;1-3,5-6,8,10-14,16-26H,4,7,9,15H2;5-18H,3-4H2,1-2H3
InChIKeyKPTZRABGVMEEQV-UHFFFAOYSA-N
MW2066.54 g/mol
LogP40.75
Rot. Bonds20

About 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile

3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile (PubChem CID 159205136) has the molecular formula C149H107F3N8 and a molecular weight of 2066.54 g/mol. Its IUPAC name is 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile.

Molecular Properties

Compound Name3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile
PubChem CID159205136
Molecular FormulaC149H107F3N8
Molecular Weight2066.54 g/mol
Exact Mass2064.86
IUPAC Name3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile
SMILESCCN(CC)c1ccc(C=Cc2ccc3c(C#N)c4ccccc4cc3c2)cc1.N#Cc1c2ccccc2cc2cc(C=Cc3ccc(N(c4ccc(C(F)(F)F)cc4)c4cccc5ccccc45)cc3)ccc12.N#Cc1c2ccccc2cc2cc(C=Cc3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)ccc12.N#Cc1c2ccccc2cc2cc(C=Cc3ccc(N(c4ccccc4)c4cccc5c4CCCC5)cc3)ccc12
InChIInChI=1S/C43H28N2.C40H25F3N2.C39H30N2.C27H24N2/c44-29-41-37-14-4-3-11-34(37)28-35-27-31(23-26-38(35)41)20-19-30-21-24-36(25-22-30)45(42-17-7-12-32-9-1-5-15-39(32)42)43-18-8-13-33-10-2-6-16-40(33)43;41-40(42,43)32-17-21-34(22-18-32)45(39-11-5-8-29-6-1-4-10-37(29)39)33-19-14-27(15-20-33)12-13-28-16-23-36-31(24-28)25-30-7-2-3-9-35(30)38(36)26-44;40-27-38-35-14-6-5-10-31(35)26-32-25-29(21-24-36(32)38)18-17-28-19-22-34(23-20-28)41(33-12-2-1-3-13-33)39-16-8-11-30-9-4-7-15-37(30)39;1-3-29(4-2)24-14-11-20(12-15-24)9-10-21-13-16-26-23(17-21)18-22-7-5-6-8-25(22)27(26)19-28/h1-28H;1-25H;1-3,5-6,8,10-14,16-26H,4,7,9,15H2;5-18H,3-4H2,1-2H3
InChIKeyKPTZRABGVMEEQV-UHFFFAOYSA-N
XLogP40.75
TPSA108.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002066.54
LogP ≤ 540.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile with MolForge

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Related Compounds

2,6-bis[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 23576500
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
2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 23576507
2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile
CID 18338876
2,6-bis[2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
CID 89372318
N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 76837378
N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 54210687
N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 89067517
10-isocyano-3-[(E)-2-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 20801884
N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
CID 59270592
N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine
CID 59012950
N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 20801917

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile?
The IUPAC name of 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile (CID 159205136) is 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile.
What is the SMILES notation for 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile?
The canonical SMILES for 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile is CCN(CC)c1ccc(C=Cc2ccc3c(C#N)c4ccccc4cc3c2)cc1.N#Cc1c2ccccc2cc2cc(C=Cc3ccc(N(c4ccc(C(F)(F)F)cc4)c4cccc5ccccc45)cc3)ccc12.N#Cc1c2ccccc2cc2cc(C=Cc3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)ccc12.N#Cc1c2ccccc2cc2cc(C=Cc3ccc(N(c4ccccc4)c4cccc5c4CCCC5)cc3)ccc12.
What is the InChIKey of 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile?
The InChIKey is KPTZRABGVMEEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2.C40H25F3N2.C39H30N2.C27H24N2/c44-29-41-37-14-4-3-11-34(37)28-35-27-31(23-26-38(35)41)20-19-30-21-24-36(25-22-30)45(42-17-7-12-32-9-1-5-15-39(32)42)43-18-8-13-33-10-2-6-16-40(33)43;41-40(42,43)32-17-21-34(22-18-32)45(39-11-5-8-29-6-1-4-10-37(29)39)33-19-14-27(15-20-33)12-13-28-16-23-36-31(24-28)25-30-7-2-3-9-35(30)38(36)26-44;40-27-38-35-14-6-5-10-31(35)26-32-25-29(21-24-36(32)38)18-17-28-19-22-34(23-20-28)41(33-12-2-1-3-13-33)39-16-8-11-30-9-4-7-15-37(30)39;1-3-29(4-2)24-14-11-20(12-15-24)9-10-21-13-16-26-23(17-21)18-22-7-5-6-8-25(22)27(26)19-28/h1-28H;1-25H;1-3,5-6,8,10-14,16-26H,4,7,9,15H2;5-18H,3-4H2,1-2H3.
What are the key properties of 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile?
3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile has a molecular weight of 2066.54 g/mol, XLogP of 40.75, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile is sourced from PubChem (CID 159205136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).