(Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine

C35H30N2 — CID 139163923

IUPAC(Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine
SMILESC/C(=C/C(C)=N/Cc1c2ccccc2cc2ccccc12)NCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C35H30N2/c1-24(36-22-34-30-15-7-3-11-26(30)20-27-12-4-8-16-31(27)34)19-25(2)37-23-35-32-17-9-5-13-28(32)21-29-14-6-10-18-33(29)35/h3-21,36H,22-23H2,1-2H3/b24-19-,37-25+
InChIKeyCXXKWJCBKONBOW-QQWHEGERSA-N
MW478.64 g/mol
LogP8.95
Rot. Bonds6

About (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine

(Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine (PubChem CID 139163923) has the molecular formula C35H30N2 and a molecular weight of 478.64 g/mol. Its IUPAC name is (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine
PubChem CID139163923
Molecular FormulaC35H30N2
Molecular Weight478.64 g/mol
Exact Mass478.24
IUPAC Name(Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine
SMILESC/C(=C/C(C)=N/Cc1c2ccccc2cc2ccccc12)NCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C35H30N2/c1-24(36-22-34-30-15-7-3-11-26(30)20-27-12-4-8-16-31(27)34)19-25(2)37-23-35-32-17-9-5-13-28(32)21-29-14-6-10-18-33(29)35/h3-21,36H,22-23H2,1-2H3/b24-19-,37-25+
InChIKeyCXXKWJCBKONBOW-QQWHEGERSA-N
XLogP8.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-naphthylmethyl)-N-(2-naphthylmethyl)amine
CID 2817655
N'-[4-(9-anthrylmethylamino)butyl]butane-1,4-diamine
CID 10360469
US9205085, Msx-174
CID 3098264
N-(4-Amino-butyl)-N'-pyren-1-ylmethyl-butane-1,4-diamine Trihydrochloride
CID 11547534
N'-[4-(anthracen-9-ylmethylamino)butyl]-N-methylbutane-1,4-diamine
CID 24854518
N'-(9-anthrylmethyl)butane-1,4-diamine
CID 11208207
N'-[4-[4-(pyren-1-ylmethylamino)butylamino]butyl]butane-1,4-diamine
CID 24854514
N'-methyl-N-(naphthalen-2-ylmethyl)-N'-[3-(naphthalen-2-ylmethylamino)propyl]propane-1,3-diamine;hydrochloride
CID 44531846
N'-[4-(pyren-1-ylmethylamino)butyl]butane-1,4-diamine;hydrochloride
CID 45262386
4-N-[4-(anthracen-9-ylmethylamino)butyl]cyclohexane-1,4-diamine;hydrochloride
CID 45265604
N-methyl-N'-[4-[[10-[[4-[4-(methylamino)butylamino]butylamino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine;hydrochloride
CID 73352117
3,6,9,19,22,25-Hexazapentacyclo[25.5.3.311,17.030,34.014,37]octatriaconta-1(33),11(38),12,14(37),15,17(36),27(35),28,30(34),31-decaene
CID 145975142

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine?
The IUPAC name of (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine (CID 139163923) is (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine.
What is the SMILES notation for (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine?
The canonical SMILES for (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine is C/C(=C/C(C)=N/Cc1c2ccccc2cc2ccccc12)NCc1c2ccccc2cc2ccccc12.
What is the InChIKey of (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine?
The InChIKey is CXXKWJCBKONBOW-QQWHEGERSA-N. The full InChI is InChI=1S/C35H30N2/c1-24(36-22-34-30-15-7-3-11-26(30)20-27-12-4-8-16-31(27)34)19-25(2)37-23-35-32-17-9-5-13-28(32)21-29-14-6-10-18-33(29)35/h3-21,36H,22-23H2,1-2H3/b24-19-,37-25+.
What are the key properties of (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine?
(Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine has a molecular weight of 478.64 g/mol, XLogP of 8.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine is sourced from PubChem (CID 139163923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).