4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline

C28H26N2 — CID 102433569

IUPAC4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2=C(c3ccc(N(C)C)cc3)c3cccc4cccc2c34)cc1
InChIInChI=1S/C28H26N2/c1-29(2)22-15-11-20(12-16-22)27-24-9-5-7-19-8-6-10-25(26(19)24)28(27)21-13-17-23(18-14-21)30(3)4/h5-18H,1-4H3
InChIKeySJDPENKPDXHSIV-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.29
Rot. Bonds4

About 4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline

4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline (PubChem CID 102433569) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline
PubChem CID102433569
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2=C(c3ccc(N(C)C)cc3)c3cccc4cccc2c34)cc1
InChIInChI=1S/C28H26N2/c1-29(2)22-15-11-20(12-16-22)27-24-9-5-7-19-8-6-10-25(26(19)24)28(27)21-13-17-23(18-14-21)30(3)4/h5-18H,1-4H3
InChIKeySJDPENKPDXHSIV-UHFFFAOYSA-N
XLogP6.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(4-fluorophenyl)acenaphthylene
CID 23635200
4-(11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-13-yl)-N,N-dimethylaniline
CID 122524469
1-iodo-2-(4-methylphenyl)acenaphthylene
CID 132837531
N,N-dimethyl-4-[10-(4-methylphenyl)pyren-4-yl]aniline
CID 159045938
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
CID 169016081
4-[[8-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-N,N-dimethylaniline
CID 172965274
4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline
CID 173360474
acetonitrile;N,N-dimethylaniline;pyrene
CID 160703197
4-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]-N,N-dimethylaniline
CID 90084884
fluoranthene
CID 139203734

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline (CID 102433569) is 4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline is CN(C)c1ccc(C2=C(c3ccc(N(C)C)cc3)c3cccc4cccc2c34)cc1.
What is the InChIKey of 4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline?
The InChIKey is SJDPENKPDXHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c1-29(2)22-15-11-20(12-16-22)27-24-9-5-7-19-8-6-10-25(26(19)24)28(27)21-13-17-23(18-14-21)30(3)4/h5-18H,1-4H3.
What are the key properties of 4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline?
4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline has a molecular weight of 390.53 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 102433569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).