4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane

C38H54N2 — CID 143856383

IUPAC4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane
SMILESC=c1ccc(=C(c2ccc(N(CC)CC)cc2)c2ccc(NCC)c3ccccc23)cc1.CC.CCC.CCC
InChIInChI=1S/C30H32N2.2C3H8.C2H6/c1-5-31-29-21-20-28(26-10-8-9-11-27(26)29)30(23-14-12-22(4)13-15-23)24-16-18-25(19-17-24)32(6-2)7-3;2*1-3-2;1-2/h8-21,31H,4-7H2,1-3H3;2*3H2,1-2H3;1-2H3
InChIKeySCJVTKUZAIIMTN-UHFFFAOYSA-N
MW538.86 g/mol
LogP9.63
Rot. Bonds7

About 4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane

4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane (PubChem CID 143856383) has the molecular formula C38H54N2 and a molecular weight of 538.86 g/mol. Its IUPAC name is 4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane.

Molecular Properties

Compound Name4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane
PubChem CID143856383
Molecular FormulaC38H54N2
Molecular Weight538.86 g/mol
Exact Mass538.43
IUPAC Name4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane
SMILESC=c1ccc(=C(c2ccc(N(CC)CC)cc2)c2ccc(NCC)c3ccccc23)cc1.CC.CCC.CCC
InChIInChI=1S/C30H32N2.2C3H8.C2H6/c1-5-31-29-21-20-28(26-10-8-9-11-27(26)29)30(23-14-12-22(4)13-15-23)24-16-18-25(19-17-24)32(6-2)7-3;2*1-3-2;1-2/h8-21,31H,4-7H2,1-3H3;2*3H2,1-2H3;1-2H3
InChIKeySCJVTKUZAIIMTN-UHFFFAOYSA-N
XLogP9.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.86
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-[(4-ethenylphenyl)methyl]naphthalen-1-amine;1-methyl-2-propylborinane
CID 144895996
4-[bis[4-(diethylamino)phenyl]methyl]-N-ethylnaphthalen-1-amine;hydrochloride
CID 70544608
3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;3-[[4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethylsulfonyl]phenyl]sulfonylazanide;3-[[4-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-[4-(N-phenylanilino)phenyl]methyl]naphthalen-1-yl]amino]propylsulfonyl-[2,3,5,6-tetrafluoro-4-(2-prop-2-enoyloxyethylsulfonyl)phenyl]sulfonylazanide
CID 160924069
4-[(4-decoxyphenyl)-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-diethylaniline
CID 122582600
4-[[4-[bis(4-methylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;naphthalene-1-sulfonic acid
CID 90760054
4-[[4-[bis[4-(dibutylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline
CID 22095440
N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine
CID 19796050
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
[4-[[4-(diethylamino)phenyl]-[(9Z)-4-(ethylamino)-8H-benzo[8]annulen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-propylazanium
CID 59104854
4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
CID 123411835
4-(1-aminoethenyl)-N,N-diethylaniline
CID 146581099
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane?
The IUPAC name of 4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane (CID 143856383) is 4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane.
What is the SMILES notation for 4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane?
The canonical SMILES for 4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane is C=c1ccc(=C(c2ccc(N(CC)CC)cc2)c2ccc(NCC)c3ccccc23)cc1.CC.CCC.CCC.
What is the InChIKey of 4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane?
The InChIKey is SCJVTKUZAIIMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2.2C3H8.C2H6/c1-5-31-29-21-20-28(26-10-8-9-11-27(26)29)30(23-14-12-22(4)13-15-23)24-16-18-25(19-17-24)32(6-2)7-3;2*1-3-2;1-2/h8-21,31H,4-7H2,1-3H3;2*3H2,1-2H3;1-2H3.
What are the key properties of 4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane?
4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane has a molecular weight of 538.86 g/mol, XLogP of 9.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethylnaphthalen-1-amine;ethane;propane is sourced from PubChem (CID 143856383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).